#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jub n LEU 2 N 0.00 3.33 -4.59 4.03 4.77 -1.26 -3.59 117.00 119.68 1jub n LEU 2 Ca 0.00 -1.52 -0.51 0.00 -0.03 0.00 0.00 56.01 53.95 1jub n LEU 2 Cb 0.00 -0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 40.73 1jub n LEU 2 CO 0.00 0.76 0.88 -0.46 -1.33 0.00 0.00 177.39 177.24 1jub n ASN 3 N 1.37 1.64 -4.08 -1.43 0.23 -1.09 -3.85 115.26 108.05 1jub n ASN 3 Ca 0.20 1.12 -0.19 0.00 -0.53 0.00 0.00 54.58 55.18 1jub n ASN 3 Cb 0.56 -1.20 -0.14 0.00 -2.08 0.00 0.00 39.78 36.92 1jub n ASN 3 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1jub s THR 4 N 0.36 0.88 -0.18 5.53 2.01 -0.17 -4.77 115.64 119.30 1jub s THR 4 Ca 0.82 -0.66 -0.03 0.00 0.31 0.00 0.00 61.69 62.13 1jub s THR 4 Cb -0.92 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.80 1jub s THR 4 CO 0.48 0.12 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.57 1jub s THR 5 N -0.51 3.45 -0.13 -0.82 2.01 -1.26 -0.49 115.64 117.89 1jub s THR 5 Ca 0.02 -0.49 -0.09 0.00 0.31 0.00 0.00 61.69 61.44 1jub s THR 5 Cb -0.06 -2.52 0.04 0.00 0.01 0.00 0.00 72.50 69.97 1jub s THR 5 CO 0.00 0.46 0.32 0.12 -0.69 0.00 0.00 174.62 174.84 1jub s PHE 6 N 0.91 -0.40 -1.45 4.92 5.36 -0.04 -4.87 117.98 122.40 1jub s PHE 6 Ca -0.01 0.94 -0.10 0.00 -0.96 0.00 0.00 56.93 56.80 1jub s PHE 6 Cb -0.15 0.14 0.05 0.00 -0.34 0.00 0.00 43.02 42.72 1jub s PHE 6 CO 0.01 -0.22 0.77 0.00 -1.46 0.00 0.00 175.22 174.31 1jub n ALA 7 N 3.53 -1.14 -1.43 11.12 0.00 -1.26 -0.47 120.51 130.87 1jub n ALA 7 Ca -0.18 0.22 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 1jub n ALA 7 Cb 0.56 -3.98 -0.06 0.00 0.00 0.00 0.00 19.45 15.97 1jub n ALA 7 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jub n ASN 8 N -2.62 -5.07 -4.44 0.00 3.02 -1.26 -4.98 115.26 99.92 1jub n ASN 8 Ca -0.02 0.36 -0.24 0.00 -0.03 0.00 0.00 54.58 54.66 1jub n ASN 8 Cb 0.56 -3.86 -0.10 0.00 -0.61 0.00 0.00 39.78 35.77 1jub n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jub s ALA 9 N -2.45 2.57 -0.15 5.41 0.00 0.38 -5.14 121.76 122.38 1jub s ALA 9 Ca 0.00 -1.78 -0.06 0.00 0.00 0.00 0.00 51.96 50.12 1jub s ALA 9 Cb 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1jub s ALA 9 CO 0.00 0.28 0.05 0.15 0.00 0.00 0.00 175.76 176.25 1jub s LYS 10 N -3.30 3.70 0.04 0.00 -0.14 -1.26 -0.86 119.74 117.91 1jub s LYS 10 Ca 0.26 -0.34 0.06 0.00 -1.36 0.00 0.00 55.97 54.59 1jub s LYS 10 Cb -0.05 -3.11 -0.02 0.00 -1.68 0.00 0.00 37.83 32.97 1jub s LYS 10 CO 0.12 0.42 -0.16 -0.06 -0.76 0.00 0.00 175.35 174.91 1jub s PHE 11 N -0.06 1.44 0.35 3.18 0.08 0.36 -3.91 117.98 119.42 1jub s PHE 11 Ca 0.06 -0.36 0.08 0.00 0.12 0.00 0.00 56.93 56.83 1jub s PHE 11 Cb -0.12 -0.85 0.66 0.00 -0.57 0.00 0.00 43.02 42.14 1jub s PHE 11 CO 0.01 0.06 1.85 0.00 -0.10 0.00 0.00 175.22 177.04 1jub h ALA 12 N 4.90 1.37 -2.91 5.36 0.00 -1.83 -0.43 119.26 125.71 1jub h ALA 12 Ca -0.40 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 1jub h ALA 12 Cb 1.17 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.77 1jub h ALA 12 CO 0.44 0.43 0.09 0.54 0.00 0.00 0.00 179.25 180.75 1jub s ASN 13 N -6.86 -0.30 0.00 0.00 2.20 -1.25 -2.67 114.94 106.06 1jub s ASN 13 Ca -0.06 -0.45 0.29 0.00 -0.94 0.00 0.00 52.86 51.71 1jub s ASN 13 Cb 0.15 0.61 1.34 0.00 -2.00 0.00 0.00 41.25 41.35 1jub s ASN 13 CO 0.75 -1.10 1.97 -0.81 -2.94 0.00 0.00 177.10 174.97 1jub n PRO 14 N -0.37 0.19 -2.53 3.55 -0.04 -1.25 -4.14 135.00 130.39 1jub n PRO 14 Ca -0.10 0.01 -0.41 0.00 -0.04 0.00 0.00 63.50 62.96 1jub n PRO 14 Cb 0.62 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.54 1jub n PRO 14 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1jub s PHE 15 N -2.81 3.63 0.22 0.54 0.08 -1.26 -0.34 117.98 118.04 1jub s PHE 15 Ca 0.20 1.66 -0.06 0.00 0.12 0.00 0.00 56.93 58.84 1jub s PHE 15 Cb 0.19 -3.24 -0.02 0.00 -0.57 0.00 0.00 43.02 39.38 1jub s PHE 15 CO 0.49 -0.47 0.29 -1.64 -0.10 0.00 0.00 175.22 173.79 1jub s MET 16 N -0.66 1.34 0.54 0.44 -1.94 0.31 -0.00 119.30 119.33 1jub s MET 16 Ca 0.47 -1.44 -0.08 0.00 -1.71 0.00 0.00 55.69 52.94 1jub s MET 16 Cb -0.29 0.36 -0.04 0.00 2.01 0.00 0.00 34.83 36.87 1jub s MET 16 CO 0.36 -0.50 0.89 0.54 -0.01 0.00 0.00 175.02 176.29 1jub s ASN 17 N -3.09 6.26 0.09 3.03 4.22 -1.26 -1.24 114.94 122.95 1jub s ASN 17 Ca 0.31 1.13 -0.14 0.00 -2.14 0.00 0.00 52.86 52.02 1jub s ASN 17 Cb 0.04 -2.34 -0.06 0.00 1.28 0.00 0.00 41.25 40.16 1jub s ASN 17 CO 0.10 -0.69 0.49 0.00 -2.04 0.00 0.00 177.10 174.95 1jub s ALA 18 N -2.91 3.64 0.44 3.54 0.00 -0.33 -4.44 121.76 121.70 1jub s ALA 18 Ca 0.51 -0.18 -0.25 0.00 0.00 0.00 0.00 51.96 52.03 1jub s ALA 18 Cb -0.11 -2.45 -0.09 0.00 0.00 0.00 0.00 23.12 20.47 1jub s ALA 18 CO 0.48 0.48 1.26 0.45 0.00 0.00 0.00 175.76 178.44 1jub n SER 19 N 1.17 2.48 0.00 0.00 2.88 -1.26 -1.91 113.62 116.99 1jub n SER 19 Ca -0.08 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1jub n SER 19 Cb 0.52 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1jub n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jub n GLY 20 N 0.83 3.24 3.32 0.46 0.00 -1.26 -4.92 105.19 106.86 1jub n GLY 20 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1jub n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jub s VAL 21 N -2.92 3.16 -1.47 1.61 1.01 -0.80 -4.70 120.40 116.29 1jub s VAL 21 Ca 0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 1jub s VAL 21 Cb 0.00 -2.39 0.06 0.00 0.00 0.00 0.00 36.38 34.05 1jub s VAL 21 CO 0.00 0.47 0.92 1.57 0.00 0.00 0.00 175.10 178.06 1jub n HIS 22 N 4.25 -2.23 -2.14 5.22 -0.00 -1.26 -4.58 115.22 114.48 1jub n HIS 22 Ca -0.18 0.89 -0.01 0.00 -0.00 0.00 0.00 57.72 58.42 1jub n HIS 22 Cb 0.52 -4.12 -0.02 0.00 -0.00 0.00 0.00 29.99 26.37 1jub n HIS 22 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1jub h MET 24 N 0.27 0.27 -5.99 0.00 4.05 -1.90 -2.54 114.93 109.10 1jub h MET 24 Ca -0.25 -0.30 -0.56 0.00 -0.28 0.00 0.00 59.70 58.32 1jub h MET 24 Cb 1.45 0.09 -0.08 0.00 -0.80 0.00 0.00 31.60 32.26 1jub h MET 24 CO -0.07 1.01 -0.52 0.95 0.23 0.00 0.00 176.91 178.52 1jub s THR 25 N -3.09 2.58 0.30 -0.77 -4.23 -1.26 -4.60 115.64 104.57 1jub s THR 25 Ca -0.15 -1.72 -0.01 0.00 -1.18 0.00 0.00 61.69 58.63 1jub s THR 25 Cb 0.02 -2.96 0.26 0.00 1.34 0.00 0.00 72.50 71.16 1jub s THR 25 CO 0.78 -0.08 1.96 0.40 -0.54 0.00 0.00 174.62 177.13 1jub h ILE 26 N 1.50 1.19 -0.63 2.99 2.04 -1.99 -1.00 117.51 121.62 1jub h ILE 26 Ca -0.43 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 1jub h ILE 26 Cb 1.25 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1jub h ILE 26 CO 0.67 0.20 0.38 -0.08 0.00 0.00 0.00 178.15 179.32 1jub h GLU 27 N 1.10 0.85 -0.14 2.37 4.81 -1.99 0.98 114.58 122.57 1jub h GLU 27 Ca 0.31 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1jub h GLU 27 Cb -0.08 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1jub h GLU 27 CO -0.08 0.61 0.09 -0.44 -0.73 0.00 0.00 179.01 178.46 1jub h ASP 28 N 0.85 0.16 -0.94 1.04 3.32 -1.61 -1.66 116.42 117.58 1jub h ASP 28 Ca 0.22 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1jub h ASP 28 Cb -0.02 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 1jub h ASP 28 CO -0.04 0.13 0.57 -0.07 -1.72 0.00 0.00 179.24 178.11 1jub h LEU 29 N 0.17 1.12 -1.17 1.55 3.38 -0.83 -1.52 115.31 118.01 1jub h LEU 29 Ca 0.05 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1jub h LEU 29 Cb -0.00 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1jub h LEU 29 CO -0.01 0.86 -0.11 -0.33 0.09 0.00 0.00 178.44 178.93 1jub h GLU 30 N 1.29 0.44 -0.24 1.13 4.39 -0.53 -0.14 114.58 120.92 1jub h GLU 30 Ca 0.34 -0.12 -0.13 0.00 0.34 0.00 0.00 59.36 59.79 1jub h GLU 30 Cb -0.06 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1jub h GLU 30 CO -0.06 0.55 -0.39 0.93 -1.16 0.00 0.00 179.01 178.88 1jub h GLU 31 N 0.41 0.54 -0.25 2.33 5.08 -0.46 -0.73 114.58 121.50 1jub h GLU 31 Ca 0.08 -0.27 -0.15 0.00 -1.00 0.00 0.00 59.36 58.02 1jub h GLU 31 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1jub h GLU 31 CO 0.03 0.84 -0.47 -0.07 -1.00 0.00 0.00 179.01 178.34 1jub h LEU 32 N 0.45 0.71 -0.84 1.33 3.38 -0.67 -1.75 115.31 117.92 1jub h LEU 32 Ca 0.04 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 1jub h LEU 32 Cb 0.88 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1jub h LEU 32 CO 0.07 1.06 0.19 0.50 0.09 0.00 0.00 178.44 180.36 1jub h LYS 33 N 0.52 1.06 0.00 1.13 3.64 -0.70 -2.44 116.57 119.78 1jub h LYS 33 Ca 0.03 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 1jub h LYS 33 Cb 1.01 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1jub h LYS 33 CO 0.09 0.92 -0.07 0.00 -2.27 0.00 0.00 179.45 178.12 1jub h ALA 34 N 1.19 0.99 -3.65 5.00 0.00 -0.94 -3.46 119.26 118.39 1jub h ALA 34 Ca 0.22 -0.07 -0.41 0.00 0.00 0.00 0.00 54.91 54.65 1jub h ALA 34 Cb 0.32 -0.01 0.18 0.00 0.00 0.00 0.00 17.79 18.28 1jub h ALA 34 CO -0.00 0.09 0.29 -1.13 0.00 0.00 0.00 179.25 178.50 1jub n SER 35 N -3.16 -0.83 -0.15 0.00 3.41 -0.67 -4.95 113.62 107.27 1jub n SER 35 Ca 0.02 -1.34 0.15 0.00 -0.26 0.00 0.00 58.87 57.43 1jub n SER 35 Cb 0.42 -1.00 0.77 0.00 -0.26 0.00 0.00 64.21 64.14 1jub n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jub n GLN 36 N -4.20 1.21 -1.66 4.33 1.13 -1.26 -4.91 117.38 112.01 1jub n GLN 36 Ca 0.16 -0.30 -0.45 0.00 -1.94 0.00 0.00 57.00 54.47 1jub n GLN 36 Cb 0.57 -1.47 -0.02 0.00 0.11 0.00 0.00 30.24 29.43 1jub n GLN 36 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jub n ALA 37 N -0.61 0.82 0.19 -1.58 0.00 -1.26 -4.87 120.51 113.20 1jub n ALA 37 Ca 0.21 0.40 0.04 0.00 0.00 0.00 0.00 53.44 54.09 1jub n ALA 37 Cb 0.18 -2.22 0.36 0.00 0.00 0.00 0.00 19.45 17.78 1jub n ALA 37 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jub h GLY 38 N 3.45 0.00 -2.31 0.00 0.00 -0.58 -3.47 103.07 100.16 1jub h GLY 38 Ca -0.44 0.00 0.09 0.00 0.00 0.00 0.00 47.33 46.97 1jub h GLY 38 CO 0.70 0.00 0.31 0.00 0.00 0.00 0.00 176.54 177.55 1jub s ALA 39 N -3.96 -1.42 0.11 3.60 0.00 -0.97 -4.50 121.76 114.62 1jub s ALA 39 Ca -0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.87 1jub s ALA 39 Cb 0.13 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 24.01 1jub s ALA 39 CO 0.71 -0.98 0.16 1.52 0.00 0.00 0.00 175.76 177.17 1jub s TYR 40 N -3.69 0.39 0.03 0.00 1.13 -1.26 -3.99 117.35 109.96 1jub s TYR 40 Ca 0.09 -0.81 0.04 0.00 -1.41 0.00 0.00 57.07 54.98 1jub s TYR 40 Cb -0.04 -0.18 -0.02 0.00 -1.10 0.00 0.00 41.96 40.63 1jub s TYR 40 CO 0.02 -0.56 -0.12 -1.50 -2.51 0.00 0.00 175.55 170.87 1jub s ILE 41 N -3.93 0.95 0.68 -3.49 2.07 -1.26 -1.61 121.20 114.61 1jub s ILE 41 Ca 0.12 -0.89 -0.11 0.00 -1.41 0.00 0.00 60.65 58.35 1jub s ILE 41 Cb 0.05 -0.87 -0.00 0.00 0.13 0.00 0.00 42.46 41.77 1jub s ILE 41 CO -0.06 -0.02 1.06 0.42 -1.91 0.00 0.00 174.94 174.43 1jub s THR 42 N -0.81 4.13 0.33 4.00 -4.23 -0.61 -4.76 115.64 113.69 1jub s THR 42 Ca 0.00 0.69 -0.29 0.00 -1.18 0.00 0.00 61.69 60.92 1jub s THR 42 Cb -0.07 -3.54 -0.10 0.00 1.34 0.00 0.00 72.50 70.13 1jub s THR 42 CO 0.01 -0.91 1.39 -0.75 -0.54 0.00 0.00 174.62 173.82 1jub s LYS 43 N -5.12 4.26 0.07 3.99 2.47 -0.96 -3.98 119.74 120.47 1jub s LYS 43 Ca 0.57 2.34 -0.35 0.00 -1.56 0.00 0.00 55.97 56.97 1jub s LYS 43 Cb -0.13 -3.05 -0.14 0.00 -1.46 0.00 0.00 37.83 33.05 1jub s LYS 43 CO 0.54 -0.34 1.57 0.43 0.16 0.00 0.00 175.35 177.72 1jub n SER 44 N 1.01 2.71 -4.67 1.43 7.64 -1.26 -4.61 113.62 115.87 1jub n SER 44 Ca 0.02 1.07 -0.23 0.00 1.01 0.00 0.00 58.87 60.74 1jub n SER 44 Cb 0.41 -1.33 -0.07 0.00 -1.01 0.00 0.00 64.21 62.20 1jub n SER 44 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1jub s SER 45 N 1.47 4.64 0.33 6.43 1.04 -0.77 -4.75 113.70 122.10 1jub s SER 45 Ca 0.84 -0.63 0.08 0.00 0.48 0.00 0.00 55.95 56.72 1jub s SER 45 Cb -0.78 -0.88 -0.06 0.00 0.10 0.00 0.00 66.02 64.40 1jub s SER 45 CO 0.44 -0.04 -0.07 0.42 0.98 0.00 0.00 173.24 174.97 1jub s THR 46 N -2.32 2.00 0.24 2.02 -4.23 -1.26 -1.23 115.64 110.84 1jub s THR 46 Ca 0.32 -2.15 -0.06 0.00 -1.18 0.00 0.00 61.69 58.62 1jub s THR 46 Cb -0.06 -2.63 0.21 0.00 1.34 0.00 0.00 72.50 71.36 1jub s THR 46 CO 0.21 -0.20 1.84 -0.07 -0.54 0.00 0.00 174.62 175.85 1jub h LEU 47 N 2.08 0.79 -9.80 4.79 3.38 -1.93 0.79 115.31 115.41 1jub h LEU 47 Ca -0.42 0.02 -0.62 0.00 0.09 0.00 0.00 57.88 56.95 1jub h LEU 47 Cb 1.24 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.79 1jub h LEU 47 CO 0.70 0.50 -0.54 -1.61 0.09 0.00 0.00 178.44 177.58 1jub s GLU 48 N -6.06 3.20 0.50 1.13 2.02 -1.26 -3.79 118.70 114.44 1jub s GLU 48 Ca -0.13 -0.56 -0.23 0.00 0.02 0.00 0.00 54.97 54.08 1jub s GLU 48 Cb 0.18 -2.90 -0.06 0.00 0.10 0.00 0.00 34.13 31.45 1jub s GLU 48 CO 0.79 0.59 1.30 0.21 0.02 0.00 0.00 175.26 178.16 1jub s LYS 49 N -2.50 3.43 -0.02 1.61 2.20 -1.26 -4.38 119.74 118.82 1jub s LYS 49 Ca 0.33 2.10 0.03 0.00 -0.36 0.00 0.00 55.97 58.07 1jub s LYS 49 Cb -0.13 -2.37 -0.00 0.00 -1.51 0.00 0.00 37.83 33.82 1jub s LYS 49 CO 0.25 -0.91 -0.11 1.03 -0.36 0.00 0.00 175.35 175.25 1jub s ARG 50 N -2.76 1.02 0.24 4.03 0.52 -0.05 -4.91 118.95 117.04 1jub s ARG 50 Ca 0.67 -0.39 0.14 0.00 -0.52 0.00 0.00 55.73 55.64 1jub s ARG 50 Cb -0.37 -0.96 0.01 0.00 0.52 0.00 0.00 34.95 34.14 1jub s ARG 50 CO 0.44 0.19 1.36 1.49 0.02 0.00 0.00 175.30 178.81 1jub h GLU 51 N 6.11 0.00 0.00 3.54 4.81 -1.87 -2.07 114.58 125.10 1jub h GLU 51 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1jub h GLU 51 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1jub h GLU 51 CO 0.49 0.55 0.00 0.41 -0.73 0.00 0.00 179.01 179.73 1jub n GLY 52 N 1.26 -1.88 3.89 1.92 0.00 -1.26 -4.65 105.19 104.46 1jub n GLY 52 Ca 0.01 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 1jub n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jub s ASN 53 N -4.00 5.36 0.67 1.61 0.01 0.37 -4.95 114.94 114.01 1jub s ASN 53 Ca 0.00 1.03 -0.16 0.00 -0.71 0.00 0.00 52.86 53.02 1jub s ASN 53 Cb 0.00 -1.82 0.01 0.00 0.41 0.00 0.00 41.25 39.85 1jub s ASN 53 CO 0.00 -1.37 1.16 -2.84 -1.51 0.00 0.00 177.10 172.54 1jub s PRO 54 N -5.33 2.60 0.28 -0.60 0.02 -1.26 -4.93 135.00 125.78 1jub s PRO 54 Ca 0.58 1.60 -0.03 0.00 0.02 0.00 0.00 61.00 63.17 1jub s PRO 54 Cb -0.11 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.46 1jub s PRO 54 CO 0.50 -1.45 0.52 -0.51 -0.33 0.00 0.00 177.00 175.73 1jub s LEU 55 N -4.82 4.08 0.33 -5.54 1.02 -1.26 -4.03 118.68 108.47 1jub s LEU 55 Ca 0.71 0.58 -0.28 0.00 0.02 0.00 0.00 54.13 55.16 1jub s LEU 55 Cb -0.25 -3.39 -0.09 0.00 0.02 0.00 0.00 46.19 42.47 1jub s LEU 55 CO 0.41 -0.19 1.13 -2.16 0.02 0.00 0.00 176.35 175.56 1jub s PRO 56 N -3.70 4.41 0.00 1.29 0.04 -1.26 -4.70 135.00 131.08 1jub s PRO 56 Ca 0.42 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1jub s PRO 56 Cb -0.10 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1jub s PRO 56 CO 0.31 -0.00 0.32 2.89 0.04 0.00 0.00 177.00 180.56 1jub n ARG 57 N 0.70 -0.21 -3.75 4.56 1.85 -1.26 -0.52 116.66 118.03 1jub n ARG 57 Ca 0.01 -0.35 -0.13 0.00 -1.00 0.00 0.00 57.85 56.38 1jub n ARG 57 Cb 0.46 -0.74 -0.13 0.00 -1.05 0.00 0.00 32.46 30.99 1jub n ARG 57 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 1jub s TYR 58 N -0.07 -0.29 -0.02 2.89 6.14 -1.26 -0.55 117.35 124.19 1jub s TYR 58 Ca 0.00 0.70 0.00 0.00 0.64 0.00 0.00 57.07 58.41 1jub s TYR 58 Cb 0.00 0.04 0.03 0.00 0.42 0.00 0.00 41.96 42.45 1jub s TYR 58 CO 0.00 -0.19 0.02 0.08 0.64 0.00 0.00 175.55 176.09 1jub s VAL 59 N 0.94 0.00 0.13 3.14 1.01 -0.52 -5.02 120.40 120.09 1jub s VAL 59 Ca -0.07 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 1jub s VAL 59 Cb -0.08 -0.11 -0.07 0.00 0.00 0.00 0.00 36.38 36.12 1jub s VAL 59 CO -0.06 0.09 1.08 -1.81 0.00 0.00 0.00 175.10 174.40 1jub s ASP 60 N 0.91 7.29 0.21 3.32 1.01 -1.26 -2.20 116.67 125.96 1jub s ASP 60 Ca -0.08 1.99 0.11 0.00 0.71 0.00 0.00 52.55 55.28 1jub s ASP 60 Cb -0.11 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.18 1jub s ASP 60 CO -0.02 -0.23 -0.21 -0.76 0.21 0.00 0.00 175.17 174.15 1jub s LEU 61 N 0.04 2.49 0.26 1.23 1.43 0.14 -4.96 118.68 119.31 1jub s LEU 61 Ca 0.51 -0.93 -0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1jub s LEU 61 Cb -0.28 -1.04 0.47 0.00 0.03 0.00 0.00 46.19 45.37 1jub s LEU 61 CO 0.32 0.04 1.82 -0.08 0.23 0.00 0.00 176.35 178.69 1jub h GLU 62 N 2.89 0.85 -0.60 1.70 4.81 -2.01 -2.12 114.58 120.09 1jub h GLU 62 Ca -0.43 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1jub h GLU 62 Cb 1.22 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1jub h GLU 62 CO 0.53 0.56 0.00 1.28 -0.73 0.00 0.00 179.01 180.65 1jub n LEU 63 N -4.69 4.80 0.00 1.64 4.77 -1.26 -4.99 117.00 117.26 1jub n LEU 63 Ca 0.16 -2.54 0.00 0.00 -0.03 0.00 0.00 56.01 53.60 1jub n LEU 63 Cb 0.32 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1jub n LEU 63 CO 0.27 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 1jub n GLY 64 N 0.92 -0.13 3.53 -0.72 0.00 -0.80 -1.35 105.19 106.66 1jub n GLY 64 Ca 0.25 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1jub n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jub s SER 65 N -4.00 -0.47 -0.01 1.61 1.04 -0.67 -0.68 113.70 110.52 1jub s SER 65 Ca 0.00 -0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.30 1jub s SER 65 Cb 0.00 0.61 -0.00 0.00 0.10 0.00 0.00 66.02 66.72 1jub s SER 65 CO 0.00 -1.02 -0.06 -0.51 0.98 0.00 0.00 173.24 172.63 1jub s ILE 66 N -3.72 0.45 0.06 -1.02 2.07 -0.93 -1.61 121.20 116.50 1jub s ILE 66 Ca 0.04 -0.24 -0.20 0.00 -1.41 0.00 0.00 60.65 58.83 1jub s ILE 66 Cb -0.02 -0.38 0.05 0.00 0.13 0.00 0.00 42.46 42.23 1jub s ILE 66 CO -0.08 0.13 0.48 0.54 -1.91 0.00 0.00 174.94 174.10 1jub s ASN 67 N -0.11 -0.37 -0.41 4.50 2.20 -0.69 -1.44 114.94 118.62 1jub s ASN 67 Ca 0.02 0.04 0.09 0.00 -0.94 0.00 0.00 52.86 52.07 1jub s ASN 67 Cb -0.02 0.48 0.30 0.00 -2.00 0.00 0.00 41.25 40.00 1jub s ASN 67 CO -0.00 -0.74 0.76 -0.24 -2.94 0.00 0.00 177.10 173.94 1jub n SER 68 N 0.29 -0.54 -0.32 3.54 2.88 0.28 -0.06 113.62 119.68 1jub n SER 68 Ca -0.18 -3.09 0.02 0.00 -1.33 0.00 0.00 58.87 54.30 1jub n SER 68 Cb 0.61 0.23 0.16 0.00 -0.75 0.00 0.00 64.21 64.46 1jub n SER 68 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1jub h MET 69 N 3.47 0.96 0.00 -1.46 2.86 -1.85 -3.41 114.93 115.50 1jub h MET 69 Ca 0.01 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1jub h MET 69 Cb 0.98 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1jub h MET 69 CO 0.39 0.64 0.00 0.41 1.06 0.00 0.00 176.91 179.41 1jub n GLY 70 N -1.34 0.74 3.70 8.32 0.00 -1.25 -0.48 105.19 114.88 1jub n GLY 70 Ca 0.14 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 1jub n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jub n LEU 71 N 0.00 -3.15 -4.72 0.99 4.77 -1.26 -4.23 117.00 109.40 1jub n LEU 71 Ca 0.00 -0.78 -0.42 0.00 -0.03 0.00 0.00 56.01 54.78 1jub n LEU 71 Cb 0.31 -2.72 -0.03 0.00 -2.33 0.00 0.00 43.42 38.65 1jub n LEU 71 CO 0.00 0.42 0.99 -2.16 -1.33 0.00 0.00 177.39 175.31 1jub s PRO 72 N -6.01 4.38 0.08 3.23 0.04 -1.26 -4.65 135.00 130.81 1jub s PRO 72 Ca 0.12 2.00 -0.26 0.00 0.04 0.00 0.00 61.00 62.89 1jub s PRO 72 Cb -0.06 -3.24 0.08 0.00 0.04 0.00 0.00 34.50 31.32 1jub s PRO 72 CO 0.80 -0.31 0.73 0.54 0.04 0.00 0.00 177.00 178.81 1jub s ASN 73 N 0.73 -0.48 0.00 6.66 2.20 -0.78 -4.94 114.94 118.33 1jub s ASN 73 Ca 0.60 0.03 0.10 0.00 -0.94 0.00 0.00 52.86 52.64 1jub s ASN 73 Cb -0.35 0.50 0.44 0.00 -2.00 0.00 0.00 41.25 39.84 1jub s ASN 73 CO 0.33 -0.80 1.31 0.18 -2.94 0.00 0.00 177.10 175.18 1jub n LEU 74 N -0.27 0.82 0.00 3.54 4.77 -1.26 -0.87 117.00 123.72 1jub n LEU 74 Ca -0.13 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1jub n LEU 74 Cb 0.63 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1jub n LEU 74 CO 0.12 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1jub n GLY 75 N 0.82 0.97 0.29 -0.72 0.00 -1.26 -4.47 105.19 100.82 1jub n GLY 75 Ca 0.09 -1.58 -0.05 0.00 0.00 0.00 0.00 46.02 44.48 1jub n GLY 75 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jub h PHE 76 N 0.00 -0.66 -0.81 1.61 3.57 -0.93 -2.11 116.94 117.62 1jub h PHE 76 Ca 0.00 0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.66 1jub h PHE 76 Cb 0.00 0.36 -0.06 0.00 2.79 0.00 0.00 35.95 39.04 1jub h PHE 76 CO 0.00 -0.33 0.53 -0.44 -2.23 0.00 0.00 178.31 175.84 1jub h ASP 77 N -0.15 0.66 0.17 0.41 3.32 -1.86 -0.44 116.42 118.53 1jub h ASP 77 Ca 0.22 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1jub h ASP 77 Cb 0.49 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1jub h ASP 77 CO -0.57 0.38 -0.08 0.22 -1.72 0.00 0.00 179.24 177.48 1jub h TYR 78 N 0.72 -0.21 -0.47 4.55 3.20 -1.60 -0.84 116.97 122.32 1jub h TYR 78 Ca 0.38 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 62.12 1jub h TYR 78 Cb 0.49 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1jub h TYR 78 CO -0.00 -0.07 -0.20 1.88 -1.64 0.00 0.00 178.16 178.12 1jub h TYR 79 N -0.30 1.07 -0.52 -3.82 0.05 -1.32 -2.38 116.97 109.75 1jub h TYR 79 Ca -0.02 -0.25 -0.02 0.00 0.05 0.00 0.00 58.73 58.48 1jub h TYR 79 Cb 0.23 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 1jub h TYR 79 CO -0.05 1.05 0.24 1.25 -1.05 0.00 0.00 178.16 179.61 1jub h LEU 80 N 0.82 0.69 -0.99 3.88 5.85 -1.03 -1.60 115.31 122.94 1jub h LEU 80 Ca 0.11 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1jub h LEU 80 Cb 0.76 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1jub h LEU 80 CO 0.06 0.64 0.47 0.44 -0.34 0.00 0.00 178.44 179.71 1jub h ASP 81 N 0.70 1.05 0.44 1.25 3.32 -1.04 -1.25 116.42 120.89 1jub h ASP 81 Ca 0.18 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1jub h ASP 81 Cb 0.14 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1jub h ASP 81 CO -0.02 0.84 -0.21 0.22 -1.72 0.00 0.00 179.24 178.35 1jub h TYR 82 N 1.18 -0.55 -0.46 4.55 3.20 -1.00 -2.25 116.97 121.65 1jub h TYR 82 Ca 0.30 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 1jub h TYR 82 Cb 0.01 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 1jub h TYR 82 CO 0.01 -0.26 0.21 -0.39 -1.64 0.00 0.00 178.16 176.08 1jub h VAL 83 N -0.76 1.16 -0.28 1.81 -1.51 -1.23 -0.26 116.25 115.19 1jub h VAL 83 Ca -0.06 -0.47 -0.12 0.00 -1.23 0.00 0.00 66.70 64.82 1jub h VAL 83 Cb 0.53 0.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.27 1jub h VAL 83 CO 0.10 0.19 -0.32 -0.07 -1.23 0.00 0.00 177.57 176.24 1jub h LEU 84 N 0.64 0.61 -0.07 4.19 3.38 -1.19 -0.84 115.31 122.04 1jub h LEU 84 Ca 0.16 -0.24 -0.21 0.00 0.09 0.00 0.00 57.88 57.68 1jub h LEU 84 Cb 0.09 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.69 1jub h LEU 84 CO -0.02 0.89 -0.78 0.11 0.09 0.00 0.00 178.44 178.74 1jub h LYS 85 N 0.51 0.64 -0.34 1.13 1.57 -0.91 -3.22 116.57 115.94 1jub h LYS 85 Ca 0.06 -0.60 -0.06 0.00 -1.87 0.00 0.00 60.65 58.18 1jub h LYS 85 Cb 0.80 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 1jub h LYS 85 CO 0.07 1.21 -0.03 -0.97 -0.57 0.00 0.00 179.45 179.16 1jub h ASN 86 N 0.29 0.50 -0.64 0.86 -0.73 -1.00 -2.95 115.58 111.91 1jub h ASN 86 Ca -0.08 -0.10 -0.00 0.00 1.87 0.00 0.00 56.30 57.98 1jub h ASN 86 Cb 1.43 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 39.86 1jub h ASN 86 CO 0.16 0.59 0.38 -0.61 -0.37 0.00 0.00 177.43 177.58 1jub h GLN 87 N 0.51 0.88 0.00 6.67 4.15 -1.17 -2.56 115.11 123.58 1jub h GLN 87 Ca 0.11 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1jub h GLN 87 Cb 0.37 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.88 1jub h GLN 87 CO 0.01 0.63 -0.06 0.87 -1.93 0.00 0.00 178.83 178.35 1jub h LYS 88 N 0.87 0.00 0.00 1.69 1.57 -1.53 -3.09 116.57 116.09 1jub h LYS 88 Ca 0.23 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.94 1jub h LYS 88 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1jub h LYS 88 CO -0.04 0.06 -0.33 0.93 -0.57 0.00 0.00 179.45 179.50 1jub h GLU 89 N 0.00 0.00 -5.70 3.15 4.39 -1.50 -3.47 114.58 111.45 1jub h GLU 89 Ca -0.00 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.28 1jub h GLU 89 Cb 0.33 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.91 1jub h GLU 89 CO 0.01 0.33 -0.64 0.09 -1.16 0.00 0.00 179.01 177.64 1jub n ASN 90 N -3.29 -4.18 -2.21 1.42 3.02 -1.17 -4.85 115.26 104.00 1jub n ASN 90 Ca 0.01 -0.54 -0.30 0.00 -0.03 0.00 0.00 54.58 53.72 1jub n ASN 90 Cb 0.59 -3.41 0.05 0.00 -0.61 0.00 0.00 39.78 36.40 1jub n ASN 90 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jub n ALA 91 N -3.90 5.79 -3.61 5.41 0.00 -1.26 -4.95 120.51 117.99 1jub n ALA 91 Ca 0.00 -3.63 -0.13 0.00 0.00 0.00 0.00 53.44 49.68 1jub n ALA 91 Cb 0.54 -1.16 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 1jub n ALA 91 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1jub s GLN 92 N -3.74 0.79 -0.57 0.00 0.74 -1.26 -5.11 119.66 110.50 1jub s GLN 92 Ca 0.59 1.00 -0.20 0.00 0.05 0.00 0.00 55.36 56.80 1jub s GLN 92 Cb 0.47 0.35 0.08 0.00 1.10 0.00 0.00 33.01 35.01 1jub s GLN 92 CO 0.00 -0.10 0.73 -1.21 -0.55 0.00 0.00 175.29 174.15 1jub s GLU 93 N 0.56 3.09 0.00 1.67 0.41 -1.26 -4.87 118.70 118.30 1jub s GLU 93 Ca -0.02 -1.08 0.00 0.00 -0.41 0.00 0.00 54.97 53.46 1jub s GLU 93 Cb -0.05 -4.20 0.00 0.00 -1.78 0.00 0.00 34.13 28.10 1jub s GLU 93 CO -0.02 -1.48 0.00 0.41 -0.49 0.00 0.00 175.26 173.68 1jub n GLY 94 N 5.25 2.84 3.76 -1.39 0.00 -1.25 -4.67 105.19 109.73 1jub n GLY 94 Ca -0.07 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 1jub n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jub s PRO 95 N -4.79 2.63 0.33 1.61 0.04 -1.26 -5.03 135.00 128.52 1jub s PRO 95 Ca 0.00 1.41 -0.16 0.00 0.04 0.00 0.00 61.00 62.29 1jub s PRO 95 Cb 0.00 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.52 1jub s PRO 95 CO 0.00 -1.39 0.76 0.42 0.04 0.00 0.00 177.00 176.83 1jub s ILE 96 N -2.36 4.64 -0.11 0.56 1.01 -1.26 -4.71 121.20 118.97 1jub s ILE 96 Ca 0.67 1.03 -0.06 0.00 0.00 0.00 0.00 60.65 62.30 1jub s ILE 96 Cb -0.21 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1jub s ILE 96 CO 0.44 -0.17 0.11 -0.36 0.00 0.00 0.00 174.94 174.96 1jub s PHE 97 N -1.97 3.49 -0.23 3.97 0.40 -0.63 -1.80 117.98 121.21 1jub s PHE 97 Ca 0.54 0.44 0.02 0.00 -0.60 0.00 0.00 56.93 57.33 1jub s PHE 97 Cb -0.11 -1.91 0.05 0.00 0.51 0.00 0.00 43.02 41.57 1jub s PHE 97 CO 0.17 0.66 -0.12 0.12 0.70 0.00 0.00 175.22 176.76 1jub s PHE 98 N -0.97 2.96 -0.06 0.36 2.19 0.99 -1.57 117.98 121.88 1jub s PHE 98 Ca 0.14 -2.03 -0.14 0.00 0.33 0.00 0.00 56.93 55.24 1jub s PHE 98 Cb -0.12 -1.85 -0.05 0.00 -1.31 0.00 0.00 43.02 39.69 1jub s PHE 98 CO 0.03 -0.83 0.36 0.45 1.83 0.00 0.00 175.22 177.06 1jub s SER 99 N 1.21 6.68 -0.01 6.13 0.15 -1.26 -0.49 113.70 126.12 1jub s SER 99 Ca -0.05 0.81 0.05 0.00 0.70 0.00 0.00 55.95 57.46 1jub s SER 99 Cb -0.18 -2.22 -0.01 0.00 -1.71 0.00 0.00 66.02 61.90 1jub s SER 99 CO -0.07 0.26 -0.16 0.27 1.20 0.00 0.00 173.24 174.74 1jub s ILE 100 N -0.59 1.24 -0.40 6.45 -4.36 -0.33 -1.84 121.20 121.37 1jub s ILE 100 Ca 0.22 -0.68 0.08 0.00 -0.26 0.00 0.00 60.65 60.01 1jub s ILE 100 Cb -0.15 -1.03 0.26 0.00 1.25 0.00 0.00 42.46 42.79 1jub s ILE 100 CO 0.10 0.35 0.59 0.00 0.24 0.00 0.00 174.94 176.22 1jub n ALA 101 N 2.68 2.02 -1.60 2.27 0.00 -0.37 -0.90 120.51 124.61 1jub n ALA 101 Ca -0.14 -3.21 -0.37 0.00 0.00 0.00 0.00 53.44 49.71 1jub n ALA 101 Cb 0.55 -0.87 0.07 0.00 0.00 0.00 0.00 19.45 19.19 1jub n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jub n GLY 102 N 1.26 -0.07 0.01 0.00 0.00 -1.26 -4.63 105.19 100.50 1jub n GLY 102 Ca 0.20 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 46.17 1jub n GLY 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jub n MET 103 N -1.51 1.01 -3.49 1.61 2.81 -1.26 -4.81 117.12 111.47 1jub n MET 103 Ca 0.14 -0.02 -0.10 0.00 -1.81 0.00 0.00 57.70 55.92 1jub n MET 103 Cb 0.48 -1.44 -0.02 0.00 -0.71 0.00 0.00 33.22 31.52 1jub n MET 103 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1jub s SER 104 N -1.89 -0.42 0.19 7.83 1.04 -1.26 -5.00 113.70 114.19 1jub s SER 104 Ca 0.42 0.07 -0.12 0.00 0.48 0.00 0.00 55.95 56.81 1jub s SER 104 Cb 0.20 0.43 0.19 0.00 0.10 0.00 0.00 66.02 66.93 1jub s SER 104 CO 0.33 -0.66 1.75 0.00 0.98 0.00 0.00 173.24 175.63 1jub h ALA 105 N 2.10 0.64 -0.87 5.32 0.00 -2.00 -0.92 119.26 123.53 1jub h ALA 105 Ca -0.24 0.07 0.14 0.00 0.00 0.00 0.00 54.91 54.87 1jub h ALA 105 Cb 1.24 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 1jub h ALA 105 CO 0.33 -0.20 0.56 0.00 0.00 0.00 0.00 179.25 179.94 1jub h ALA 106 N 1.34 1.84 -0.28 0.00 0.00 -1.98 0.76 119.26 120.94 1jub h ALA 106 Ca 0.25 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 1jub h ALA 106 Cb 0.27 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1jub h ALA 106 CO -0.25 -0.07 -0.53 1.49 0.00 0.00 0.00 179.25 179.89 1jub h GLU 107 N 0.68 0.82 -0.44 0.00 4.81 -1.58 -1.47 114.58 117.39 1jub h GLU 107 Ca 0.43 -0.51 -0.10 0.00 -0.13 0.00 0.00 59.36 59.05 1jub h GLU 107 Cb 0.69 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1jub h GLU 107 CO -0.19 1.14 -0.13 -0.91 -0.73 0.00 0.00 179.01 178.19 1jub h ASN 108 N 0.63 0.88 -0.70 1.04 2.35 -0.35 -1.71 115.58 117.72 1jub h ASN 108 Ca 0.02 -0.37 -0.05 0.00 -0.55 0.00 0.00 56.30 55.35 1jub h ASN 108 Cb 1.12 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 39.22 1jub h ASN 108 CO 0.12 1.05 0.26 0.40 -1.65 0.00 0.00 177.43 177.60 1jub h ILE 109 N 0.70 1.25 -0.43 2.81 1.08 -0.89 -0.31 117.51 121.72 1jub h ILE 109 Ca 0.11 -0.81 -0.01 0.00 -0.39 0.00 0.00 64.86 63.75 1jub h ILE 109 Cb 0.68 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.88 1jub h ILE 109 CO 0.05 0.32 0.23 0.00 -0.69 0.00 0.00 178.15 178.06 1jub h ALA 110 N 1.12 0.55 -0.53 1.87 0.00 -1.08 -0.31 119.26 120.88 1jub h ALA 110 Ca 0.23 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1jub h ALA 110 Cb 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1jub h ALA 110 CO -0.01 0.08 -0.14 0.52 0.00 0.00 0.00 179.25 179.69 1jub h MET 111 N 0.55 1.03 -0.41 0.00 2.86 -1.07 -1.96 114.93 115.92 1jub h MET 111 Ca 0.15 -0.40 -0.06 0.00 -2.06 0.00 0.00 59.70 57.33 1jub h MET 111 Cb 0.07 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1jub h MET 111 CO -0.02 1.09 -0.00 -0.07 1.06 0.00 0.00 176.91 178.96 1jub h LEU 112 N 0.90 0.63 -0.61 1.22 3.38 -0.84 -0.63 115.31 119.36 1jub h LEU 112 Ca 0.13 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1jub h LEU 112 Cb 0.72 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1jub h LEU 112 CO 0.06 0.70 -0.09 0.11 0.09 0.00 0.00 178.44 179.31 1jub h LYS 113 N 0.62 1.01 -0.55 1.13 1.57 -0.82 -0.06 116.57 119.48 1jub h LYS 113 Ca 0.13 -0.36 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 1jub h LYS 113 Cb 0.40 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1jub h LYS 113 CO 0.02 1.04 0.07 0.87 -0.57 0.00 0.00 179.45 180.88 1jub h LYS 114 N 0.90 0.93 -0.27 3.15 1.57 -0.88 -0.80 116.57 121.18 1jub h LYS 114 Ca 0.15 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1jub h LYS 114 Cb 0.65 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1jub h LYS 114 CO 0.04 0.90 0.10 0.82 -0.57 0.00 0.00 179.45 180.75 1jub h ILE 115 N 0.81 1.18 -0.62 1.86 2.04 -0.92 -0.50 117.51 121.36 1jub h ILE 115 Ca 0.16 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.53 1jub h ILE 115 Cb 0.44 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 1jub h ILE 115 CO 0.01 0.18 0.34 -0.61 0.00 0.00 0.00 178.15 178.08 1jub h GLN 116 N 0.28 0.63 0.00 2.37 5.75 -0.81 -2.43 115.11 120.90 1jub h GLN 116 Ca 0.09 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.46 1jub h GLN 116 Cb 0.19 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1jub h GLN 116 CO -0.01 0.41 -0.43 0.93 -2.65 0.00 0.00 178.83 177.09 1jub h GLU 117 N 0.64 0.00 -7.53 1.69 5.08 -0.96 -3.46 114.58 110.04 1jub h GLU 117 Ca 0.27 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 58.20 1jub h GLU 117 Cb 0.15 0.00 0.18 0.00 0.50 0.00 0.00 28.75 29.58 1jub h GLU 117 CO -0.17 0.43 0.23 -1.54 -1.00 0.00 0.00 179.01 176.97 1jub s SER 118 N -6.48 1.80 -0.00 1.42 1.04 -0.21 -4.94 113.70 106.32 1jub s SER 118 Ca 0.01 0.56 0.12 0.00 0.48 0.00 0.00 55.95 57.11 1jub s SER 118 Cb 0.11 -0.77 0.36 0.00 0.10 0.00 0.00 66.02 65.82 1jub s SER 118 CO 0.70 -3.57 1.30 0.47 0.98 0.00 0.00 173.24 173.12 1jub n ASP 119 N -4.38 2.22 -4.68 7.02 8.00 -1.26 -4.94 116.55 118.53 1jub n ASP 119 Ca 0.13 -2.01 -0.49 0.00 0.71 0.00 0.00 54.79 53.13 1jub n ASP 119 Cb 0.59 -0.28 -0.05 0.00 -0.02 0.00 0.00 41.12 41.36 1jub n ASP 119 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1jub n PHE 120 N 0.68 2.25 0.13 1.24 7.35 -1.26 -4.85 117.46 123.00 1jub n PHE 120 Ca 0.14 0.15 0.06 0.00 -0.76 0.00 0.00 57.45 57.04 1jub n PHE 120 Cb 0.36 -2.60 0.12 0.00 0.35 0.00 0.00 39.48 37.70 1jub n PHE 120 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1jub n SER 121 N 5.51 2.59 -2.11 -2.13 3.41 -1.26 -5.00 113.62 114.62 1jub n SER 121 Ca 0.21 -1.78 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 1jub n SER 121 Cb 0.27 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1jub n SER 121 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jub n GLY 122 N 0.67 0.02 3.66 5.00 0.00 -1.26 -4.99 105.19 108.28 1jub n GLY 122 Ca 0.10 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.02 1jub n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jub s ILE 123 N 0.52 4.19 -0.06 -0.61 1.01 -0.75 -4.48 121.20 121.03 1jub s ILE 123 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.37 1jub s ILE 123 Cb 0.00 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 1jub s ILE 123 CO 0.00 0.60 -0.06 -0.89 0.00 0.00 0.00 174.94 174.58 1jub s THR 124 N -0.79 3.74 -0.19 2.92 2.01 -0.60 -0.01 115.64 122.72 1jub s THR 124 Ca 0.12 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.62 1jub s THR 124 Cb -0.11 -2.55 0.03 0.00 0.01 0.00 0.00 72.50 69.88 1jub s THR 124 CO 0.02 0.56 -0.16 -0.70 -0.69 0.00 0.00 174.62 173.66 1jub s GLU 125 N -0.92 2.56 -0.35 4.92 2.12 0.36 -0.78 118.70 126.61 1jub s GLU 125 Ca 0.13 -0.84 -0.19 0.00 0.36 0.00 0.00 54.97 54.43 1jub s GLU 125 Cb -0.11 -2.48 -0.00 0.00 0.26 0.00 0.00 34.13 31.80 1jub s GLU 125 CO 0.03 -0.30 0.58 -1.17 -0.54 0.00 0.00 175.26 173.86 1jub s LEU 126 N 1.33 4.27 -0.54 2.70 2.96 0.27 -1.19 118.68 128.48 1jub s LEU 126 Ca 0.02 0.12 -0.27 0.00 -0.22 0.00 0.00 54.13 53.78 1jub s LEU 126 Cb -0.14 -2.71 0.03 0.00 0.50 0.00 0.00 46.19 43.87 1jub s LEU 126 CO -0.11 -0.53 1.08 0.21 -1.32 0.00 0.00 176.35 175.69 1jub s ASN 127 N 1.76 6.46 -0.28 3.68 3.84 -0.08 -1.06 114.94 129.25 1jub s ASN 127 Ca 0.22 0.05 0.11 0.00 0.21 0.00 0.00 52.86 53.45 1jub s ASN 127 Cb -0.15 -2.51 0.57 0.00 -0.55 0.00 0.00 41.25 38.61 1jub s ASN 127 CO 0.14 -1.32 1.56 0.18 -2.79 0.00 0.00 177.10 174.86 1jub n LEU 128 N 7.93 4.67 -0.46 3.21 4.77 -0.85 -4.66 117.00 131.60 1jub n LEU 128 Ca 0.07 -3.44 0.00 0.00 -0.03 0.00 0.00 56.01 52.61 1jub n LEU 128 Cb 0.49 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1jub n LEU 128 CO 0.69 0.99 0.24 -1.54 -1.33 0.00 0.00 177.39 176.44 1jub n SER 129 N -0.79 0.00 -4.63 -1.43 3.41 -1.23 -1.31 113.62 107.65 1jub n SER 129 Ca 0.34 -1.66 -0.43 0.00 -0.26 0.00 0.00 58.87 56.86 1jub n SER 129 Cb 1.12 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.91 1jub n SER 129 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jub n PRO 131 N 8.04 2.18 -0.14 0.00 -0.04 -1.26 -4.23 135.00 139.55 1jub n PRO 131 Ca 0.23 -1.81 0.08 0.00 -0.04 0.00 0.00 63.50 61.96 1jub n PRO 131 Cb 0.44 -1.40 0.14 0.00 -0.04 0.00 0.00 33.50 32.65 1jub n PRO 131 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jub n ASN 132 N 0.96 2.65 -4.45 3.54 3.02 -1.26 -4.62 115.26 115.09 1jub n ASN 132 Ca 0.17 -2.86 -0.44 0.00 -0.03 0.00 0.00 54.58 51.42 1jub n ASN 132 Cb 0.43 -0.38 -0.07 0.00 -0.61 0.00 0.00 39.78 39.15 1jub n ASN 132 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jub s VAL 133 N -2.49 4.91 -0.37 2.41 1.01 -1.26 -3.80 120.40 120.80 1jub s VAL 133 Ca 0.29 -0.48 -0.42 0.00 0.00 0.00 0.00 61.98 61.37 1jub s VAL 133 Cb 0.24 -4.26 -0.17 0.00 0.00 0.00 0.00 36.38 32.20 1jub s VAL 133 CO 0.04 -0.75 1.83 -2.65 0.00 0.00 0.00 175.10 173.57 1jub n PRO 134 N 6.07 0.72 -1.25 2.72 -0.02 -1.26 -0.78 135.00 141.20 1jub n PRO 134 Ca -0.07 0.25 -0.04 0.00 -2.02 0.00 0.00 63.50 61.62 1jub n PRO 134 Cb 0.46 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 1jub n PRO 134 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jub n GLY 135 N 4.92 0.63 2.79 -1.23 0.00 -1.26 -5.03 105.19 106.00 1jub n GLY 135 Ca 0.33 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 1jub n GLY 135 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jub s GLU 136 N -2.60 0.90 -0.02 1.61 0.41 0.04 -5.12 118.70 113.93 1jub s GLU 136 Ca 0.00 -0.94 -0.30 0.00 -0.41 0.00 0.00 54.97 53.32 1jub s GLU 136 Cb 0.00 -2.20 -0.07 0.00 -1.78 0.00 0.00 34.13 30.09 1jub s GLU 136 CO 0.00 -0.83 1.72 -2.14 -0.49 0.00 0.00 175.26 173.52 1jub s PRO 137 N 1.60 4.18 -0.55 0.39 0.02 -1.26 -4.65 135.00 134.72 1jub s PRO 137 Ca 0.04 2.30 -0.39 0.00 0.02 0.00 0.00 61.00 62.97 1jub s PRO 137 Cb -0.18 -3.97 -0.18 0.00 0.02 0.00 0.00 34.50 30.20 1jub s PRO 137 CO -0.16 -0.85 2.26 1.04 -0.33 0.00 0.00 177.00 178.95 1jub n GLN 138 N 6.99 0.26 -0.35 5.54 6.02 -1.26 -4.78 117.38 129.80 1jub n GLN 138 Ca 0.18 0.06 0.14 0.00 -0.01 0.00 0.00 57.00 57.37 1jub n GLN 138 Cb 0.42 -1.76 0.34 0.00 1.02 0.00 0.00 30.24 30.26 1jub n GLN 138 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1jub h LEU 139 N 10.56 0.73 0.00 1.08 5.85 -1.90 -1.12 115.31 130.51 1jub h LEU 139 Ca -0.13 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1jub h LEU 139 Cb 1.38 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1jub h LEU 139 CO 1.13 0.21 0.00 0.00 -0.34 0.00 0.00 178.44 179.44 1jub n ALA 140 N -2.33 1.97 1.04 1.25 0.00 -0.42 -0.81 120.51 121.20 1jub n ALA 140 Ca 0.24 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.72 1jub n ALA 140 Cb 0.63 -1.21 0.08 0.00 0.00 0.00 0.00 19.45 18.95 1jub n ALA 140 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1jub n TYR 141 N -1.01 0.00 -3.73 0.00 4.01 -0.42 -4.59 117.16 111.42 1jub n TYR 141 Ca 0.09 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.47 1jub n TYR 141 Cb 0.05 -0.01 -0.10 0.00 -0.31 0.00 0.00 39.34 38.97 1jub n TYR 141 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1jub s ASP 142 N -2.28 5.22 0.25 7.72 -1.08 0.01 -4.97 116.67 121.53 1jub s ASP 142 Ca 0.23 -2.79 -0.04 0.00 -0.52 0.00 0.00 52.55 49.43 1jub s ASP 142 Cb 0.19 -1.85 0.36 0.00 -1.46 0.00 0.00 42.92 40.17 1jub s ASP 142 CO 0.46 -0.38 1.85 -0.26 0.52 0.00 0.00 175.17 177.36 1jub h PHE 143 N 7.11 1.00 -0.17 -5.34 0.04 -1.81 -0.35 116.94 117.42 1jub h PHE 143 Ca -0.03 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1jub h PHE 143 Cb 0.96 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.78 1jub h PHE 143 CO 0.69 0.49 0.06 0.93 -0.60 0.00 0.00 178.31 179.87 1jub h GLU 144 N 0.97 0.27 -0.44 1.51 5.08 -1.93 -1.62 114.58 118.42 1jub h GLU 144 Ca 0.39 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.63 1jub h GLU 144 Cb 0.22 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1jub h GLU 144 CO -0.19 0.38 0.01 0.00 -1.00 0.00 0.00 179.01 178.21 1jub h ALA 145 N 0.88 1.19 -0.23 3.43 0.00 -1.82 -1.62 119.26 121.09 1jub h ALA 145 Ca 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1jub h ALA 145 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1jub h ALA 145 CO -0.00 0.53 0.02 1.15 0.00 0.00 0.00 179.25 180.94 1jub h THR 146 N 0.67 1.24 -0.76 0.00 2.02 -0.91 -1.60 112.91 113.58 1jub h THR 146 Ca 0.14 -0.83 -0.06 0.00 0.77 0.00 0.00 66.41 66.43 1jub h THR 146 Cb 0.40 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 1jub h THR 146 CO 0.01 0.26 0.25 -0.08 0.37 0.00 0.00 175.52 176.33 1jub h GLU 147 N 0.17 1.17 -0.51 6.66 4.81 -1.15 -1.51 114.58 124.22 1jub h GLU 147 Ca 0.07 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 1jub h GLU 147 Cb 0.37 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1jub h GLU 147 CO 0.01 0.98 0.25 -0.22 -0.73 0.00 0.00 179.01 179.29 1jub h LYS 148 N 1.12 0.74 -0.11 1.92 3.64 -1.17 -1.20 116.57 121.51 1jub h LYS 148 Ca 0.25 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1jub h LYS 148 Cb 0.29 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1jub h LYS 148 CO -0.01 0.61 0.02 1.25 -2.27 0.00 0.00 179.45 179.06 1jub h LEU 149 N 0.68 0.16 -1.24 5.20 5.85 -1.05 -2.82 115.31 122.10 1jub h LEU 149 Ca 0.18 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1jub h LEU 149 Cb 0.12 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1jub h LEU 149 CO -0.02 0.36 0.32 -0.07 -0.34 0.00 0.00 178.44 178.69 1jub h LEU 150 N -0.04 0.76 -0.66 2.25 3.38 -1.17 -0.52 115.31 119.30 1jub h LEU 150 Ca 0.03 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1jub h LEU 150 Cb 0.26 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1jub h LEU 150 CO 0.00 0.62 0.36 0.11 0.09 0.00 0.00 178.44 179.62 1jub h LYS 151 N 0.85 0.92 -0.47 1.13 1.57 -1.12 -1.24 116.57 118.21 1jub h LYS 151 Ca 0.22 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.79 1jub h LYS 151 Cb 0.04 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1jub h LYS 151 CO -0.03 0.69 -0.08 1.49 -0.57 0.00 0.00 179.45 180.94 1jub h GLU 152 N 0.90 0.88 -0.36 3.15 4.81 -1.15 -3.12 114.58 119.69 1jub h GLU 152 Ca 0.23 -0.32 0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1jub h GLU 152 Cb 0.04 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1jub h GLU 152 CO -0.04 0.96 0.11 0.28 -0.73 0.00 0.00 179.01 179.60 1jub h VAL 153 N 0.72 0.88 0.00 0.32 2.07 -0.70 -2.34 116.25 117.21 1jub h VAL 153 Ca 0.12 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1jub h VAL 153 Cb 0.62 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1jub h VAL 153 CO 0.04 0.05 0.00 0.49 0.02 0.00 0.00 177.57 178.17 1jub n PHE 154 N -5.03 0.00 0.97 1.57 3.72 -0.51 -0.85 117.46 117.33 1jub n PHE 154 Ca 0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.54 1jub n PHE 154 Cb 0.14 0.00 0.43 0.00 -0.94 0.00 0.00 39.48 39.10 1jub n PHE 154 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1jub n THR 155 N -0.71 0.03 0.00 4.37 -2.24 -0.88 -4.51 114.28 110.34 1jub n THR 155 Ca 0.09 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1jub n THR 155 Cb 0.04 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1jub n THR 155 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1jub n PHE 156 N -1.54 0.00 -2.71 4.78 1.16 -1.00 -5.07 117.46 113.08 1jub n PHE 156 Ca 0.06 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.21 1jub n PHE 156 Cb 0.34 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.19 1jub n PHE 156 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 1jub s PHE 157 N -0.70 3.02 -0.98 2.97 5.36 -0.03 -4.87 117.98 122.75 1jub s PHE 157 Ca 0.00 0.84 0.14 0.00 -0.96 0.00 0.00 56.93 56.96 1jub s PHE 157 Cb 0.00 -3.88 -0.08 0.00 -0.34 0.00 0.00 43.02 38.71 1jub s PHE 157 CO 0.00 -0.94 0.69 0.25 -1.46 0.00 0.00 175.22 173.76 1jub n THR 158 N 6.20 0.00 -2.14 0.12 -2.24 -1.26 -4.71 114.28 110.24 1jub n THR 158 Ca 0.10 -0.25 -0.29 0.00 -2.27 0.00 0.00 64.05 61.33 1jub n THR 158 Cb 0.48 1.08 0.03 0.00 -2.10 0.00 0.00 70.33 69.82 1jub n THR 158 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jub s LYS 159 N -2.07 3.10 0.01 -0.78 1.02 -1.26 -4.97 119.74 114.79 1jub s LYS 159 Ca 0.08 0.33 -0.35 0.00 0.02 0.00 0.00 55.97 56.06 1jub s LYS 159 Cb 0.11 -2.16 -0.13 0.00 -0.52 0.00 0.00 37.83 35.13 1jub s LYS 159 CO 0.48 -0.74 1.71 -2.30 -0.92 0.00 0.00 175.35 173.58 1jub n PRO 160 N -2.73 2.01 -4.04 -1.68 -0.02 -1.26 -4.95 135.00 122.33 1jub n PRO 160 Ca 0.05 0.73 -0.17 0.00 -2.02 0.00 0.00 63.50 62.10 1jub n PRO 160 Cb 0.56 -2.52 -0.15 0.00 -0.02 0.00 0.00 33.50 31.37 1jub n PRO 160 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jub s LEU 161 N 2.47 1.53 0.27 2.45 2.96 -1.26 -1.56 118.68 125.55 1jub s LEU 161 Ca 0.87 -0.06 0.07 0.00 -0.22 0.00 0.00 54.13 54.78 1jub s LEU 161 Cb -0.73 -0.26 -0.06 0.00 0.50 0.00 0.00 46.19 45.64 1jub s LEU 161 CO 0.47 -0.03 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.56 1jub s GLY 162 N 0.55 1.79 -0.06 7.98 0.00 0.04 -0.25 107.32 117.38 1jub s GLY 162 Ca -0.06 -1.88 0.05 0.00 0.00 0.00 0.00 44.72 42.83 1jub s GLY 162 CO -0.01 -1.84 -0.20 -1.34 0.00 0.00 0.00 173.10 169.71 1jub s VAL 163 N -2.98 1.67 -0.32 1.40 -7.23 -0.79 -0.57 120.40 111.58 1jub s VAL 163 Ca 0.29 -0.84 -0.20 0.00 -1.81 0.00 0.00 61.98 59.42 1jub s VAL 163 Cb 0.03 -1.44 -0.01 0.00 0.56 0.00 0.00 36.38 35.53 1jub s VAL 163 CO 0.11 0.47 0.60 -0.75 -0.31 0.00 0.00 175.10 175.23 1jub s LYS 164 N 0.08 3.81 0.13 4.82 2.47 -0.23 -0.31 119.74 130.52 1jub s LYS 164 Ca -0.07 0.16 0.05 0.00 -1.56 0.00 0.00 55.97 54.55 1jub s LYS 164 Cb -0.13 -3.76 -0.04 0.00 -1.46 0.00 0.00 37.83 32.44 1jub s LYS 164 CO 0.04 -0.61 0.07 -0.51 0.16 0.00 0.00 175.35 174.50 1jub s LEU 165 N 2.58 3.65 0.72 5.43 1.43 0.04 -2.01 118.68 130.52 1jub s LEU 165 Ca 0.24 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.07 1jub s LEU 165 Cb -0.15 -2.31 0.03 0.00 0.03 0.00 0.00 46.19 43.79 1jub s LEU 165 CO 0.13 0.12 1.10 -2.16 0.23 0.00 0.00 176.35 175.77 1jub s PRO 166 N -2.74 2.62 0.37 1.29 0.04 -1.26 -1.14 135.00 134.18 1jub s PRO 166 Ca 0.29 0.32 -0.25 0.00 0.04 0.00 0.00 61.00 61.39 1jub s PRO 166 Cb -0.11 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 1jub s PRO 166 CO 0.21 -1.16 1.05 -1.25 0.04 0.00 0.00 177.00 175.89 1jub s PRO 167 N -5.38 4.30 0.14 0.56 0.04 -1.26 -4.77 135.00 128.62 1jub s PRO 167 Ca 0.59 1.54 0.07 0.00 0.04 0.00 0.00 61.00 63.24 1jub s PRO 167 Cb -0.11 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.70 1jub s PRO 167 CO 0.50 -0.03 -0.02 0.71 0.04 0.00 0.00 177.00 178.20 1jub s TYR 168 N -1.56 2.86 -0.01 0.56 2.02 -1.26 -5.04 117.35 114.92 1jub s TYR 168 Ca 0.55 -0.11 0.02 0.00 -0.37 0.00 0.00 57.07 57.15 1jub s TYR 168 Cb -0.23 -1.43 0.02 0.00 -0.40 0.00 0.00 41.96 39.92 1jub s TYR 168 CO 0.30 0.49 0.82 1.19 -1.57 0.00 0.00 175.55 176.77 1jub n PHE 169 N 0.24 0.00 -3.95 2.71 3.01 -1.26 -4.85 117.46 113.36 1jub n PHE 169 Ca -0.11 -0.31 -0.17 0.00 1.01 0.00 0.00 57.45 57.87 1jub n PHE 169 Cb 0.54 -0.04 -0.16 0.00 -0.01 0.00 0.00 39.48 39.81 1jub n PHE 169 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1jub s ASP 170 N -0.76 0.42 0.40 4.37 -1.08 -1.26 -5.05 116.67 113.71 1jub s ASP 170 Ca 0.03 -0.03 0.12 0.00 -0.52 0.00 0.00 52.55 52.14 1jub s ASP 170 Cb 0.02 -0.21 0.93 0.00 -1.46 0.00 0.00 42.92 42.21 1jub s ASP 170 CO 0.00 -0.08 1.92 -0.07 0.52 0.00 0.00 175.17 177.46 1jub h LEU 171 N 7.12 0.50 -1.42 -1.34 3.38 -2.00 -0.31 115.31 121.23 1jub h LEU 171 Ca -0.41 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 1jub h LEU 171 Cb 1.14 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1jub h LEU 171 CO 0.48 0.28 -0.12 0.58 0.09 0.00 0.00 178.44 179.75 1jub h VAL 172 N 0.54 1.17 -0.29 1.22 2.07 -1.99 -1.55 116.25 117.42 1jub h VAL 172 Ca 0.36 -0.74 -0.13 0.00 0.82 0.00 0.00 66.70 67.01 1jub h VAL 172 Cb 0.66 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1jub h VAL 172 CO -0.13 0.23 -0.36 0.45 0.02 0.00 0.00 177.57 177.78 1jub h HIS 173 N 0.22 0.77 -0.60 1.57 3.86 -1.48 -0.48 115.15 119.01 1jub h HIS 173 Ca 0.05 -0.21 -0.09 0.00 -1.16 0.00 0.00 60.37 58.95 1jub h HIS 173 Cb 0.35 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 1jub h HIS 173 CO 0.01 0.92 0.00 0.74 0.86 0.00 0.00 177.93 180.46 1jub h PHE 174 N 0.55 1.14 -0.29 2.45 0.04 -1.19 -0.36 116.94 119.26 1jub h PHE 174 Ca 0.05 -0.19 -0.02 0.00 2.80 0.00 0.00 57.97 60.61 1jub h PHE 174 Cb 0.87 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 1jub h PHE 174 CO 0.04 1.00 0.11 -0.44 -0.60 0.00 0.00 178.31 178.42 1jub h ASP 175 N 0.96 0.41 -0.02 2.17 3.32 -0.98 0.06 116.42 122.34 1jub h ASP 175 Ca 0.17 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1jub h ASP 175 Cb 0.55 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1jub h ASP 175 CO 0.03 0.48 0.01 0.40 -1.72 0.00 0.00 179.24 178.44 1jub h ILE 176 N 0.32 1.07 -0.70 0.35 2.04 -0.91 -1.47 117.51 118.20 1jub h ILE 176 Ca 0.10 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 1jub h ILE 176 Cb 0.20 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 1jub h ILE 176 CO -0.01 0.06 0.28 -0.03 0.00 0.00 0.00 178.15 178.44 1jub h MET 177 N -0.05 1.05 -0.67 2.37 4.05 -1.00 -1.96 114.93 118.72 1jub h MET 177 Ca 0.01 -0.19 -0.01 0.00 -0.28 0.00 0.00 59.70 59.22 1jub h MET 177 Cb 0.08 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 30.68 1jub h MET 177 CO -0.00 0.87 0.36 0.00 0.23 0.00 0.00 176.91 178.38 1jub h ALA 178 N 1.13 0.86 -0.80 0.39 0.00 -0.86 0.76 119.26 120.73 1jub h ALA 178 Ca 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1jub h ALA 178 Cb 0.22 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1jub h ALA 178 CO -0.02 0.37 0.46 1.49 0.00 0.00 0.00 179.25 181.56 1jub h GLU 179 N 0.92 1.10 0.06 0.00 4.81 -0.97 0.43 114.58 120.92 1jub h GLU 179 Ca 0.24 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1jub h GLU 179 Cb 0.04 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1jub h GLU 179 CO -0.04 0.79 -0.03 0.82 -0.73 0.00 0.00 179.01 179.82 1jub h ILE 180 N 1.10 1.15 -0.41 2.32 2.04 -0.85 -3.27 117.51 119.58 1jub h ILE 180 Ca 0.28 -0.70 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 1jub h ILE 180 Cb -0.01 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1jub h ILE 180 CO -0.05 0.17 -0.05 -0.07 0.00 0.00 0.00 178.15 178.16 1jub h LEU 181 N -0.39 0.67 -1.23 1.44 3.38 -0.69 -3.09 115.31 115.40 1jub h LEU 181 Ca -0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1jub h LEU 181 Cb 0.35 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1jub h LEU 181 CO 0.01 0.77 0.00 0.59 0.09 0.00 0.00 178.44 179.90 1jub n ASN 182 N -4.21 0.63 -0.14 -0.43 3.02 0.13 -1.93 115.26 112.33 1jub n ASN 182 Ca 0.02 0.74 0.14 0.00 -0.03 0.00 0.00 54.58 55.45 1jub n ASN 182 Cb 0.31 -0.84 0.54 0.00 -0.61 0.00 0.00 39.78 39.18 1jub n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jub n GLN 183 N -2.29 0.66 -4.21 3.52 10.64 -1.17 -4.89 117.38 119.65 1jub n GLN 183 Ca -0.00 -0.28 -0.26 0.00 -1.83 0.00 0.00 57.00 54.63 1jub n GLN 183 Cb 0.10 -1.49 -0.08 0.00 -0.86 0.00 0.00 30.24 27.91 1jub n GLN 183 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1jub s PHE 184 N -2.53 2.84 -0.20 2.61 0.08 -0.81 -5.01 117.98 114.96 1jub s PHE 184 Ca 0.26 -0.15 -0.05 0.00 0.12 0.00 0.00 56.93 57.11 1jub s PHE 184 Cb 0.20 -1.36 -0.15 0.00 -0.57 0.00 0.00 43.02 41.14 1jub s PHE 184 CO 0.50 0.53 3.32 -0.35 -0.10 0.00 0.00 175.22 179.12 1jub n PRO 185 N -0.25 2.19 -2.30 0.24 -0.04 -1.26 -4.93 135.00 128.65 1jub n PRO 185 Ca -0.09 -1.49 -0.38 0.00 -0.04 0.00 0.00 63.50 61.49 1jub n PRO 185 Cb 0.56 -2.07 -0.02 0.00 -0.04 0.00 0.00 33.50 31.92 1jub n PRO 185 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jub s LEU 186 N -0.73 4.23 0.00 1.53 1.43 -1.26 -4.83 118.68 119.04 1jub s LEU 186 Ca 0.64 2.36 -0.13 0.00 -1.03 0.00 0.00 54.13 55.97 1jub s LEU 186 Cb 0.34 -3.98 -0.33 0.00 0.03 0.00 0.00 46.19 42.25 1jub s LEU 186 CO -0.08 -0.63 0.88 0.74 0.23 0.00 0.00 176.35 177.49 1jub h THR 187 N 2.41 1.16 -2.60 5.49 2.02 -0.91 -3.38 112.91 117.10 1jub h THR 187 Ca -0.49 -2.66 0.13 0.00 0.77 0.00 0.00 66.41 64.16 1jub h THR 187 Cb 1.23 2.92 -0.07 0.00 -1.74 0.00 0.00 68.15 70.50 1jub h THR 187 CO 0.63 0.83 0.38 -0.72 0.37 0.00 0.00 175.52 177.02 1jub s TYR 188 N -2.60 -0.16 -0.05 3.16 -0.85 -1.19 -1.77 117.35 113.90 1jub s TYR 188 Ca -0.11 -0.21 0.05 0.00 -0.52 0.00 0.00 57.07 56.28 1jub s TYR 188 Cb 0.05 0.67 -0.00 0.00 0.38 0.00 0.00 41.96 43.05 1jub s TYR 188 CO 0.91 -0.99 -0.19 0.08 -1.52 0.00 0.00 175.55 173.84 1jub s VAL 189 N -3.53 1.57 -0.30 -3.49 1.01 -0.56 -1.89 120.40 113.20 1jub s VAL 189 Ca 0.12 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 1jub s VAL 189 Cb -0.03 -1.34 0.05 0.00 0.00 0.00 0.00 36.38 35.05 1jub s VAL 189 CO 0.04 0.45 0.01 0.21 0.00 0.00 0.00 175.10 175.81 1jub s ASN 190 N 0.02 4.93 -0.12 3.32 3.84 0.58 -0.80 114.94 126.71 1jub s ASN 190 Ca -0.04 -1.24 0.03 0.00 0.21 0.00 0.00 52.86 51.81 1jub s ASN 190 Cb -0.12 -1.73 -0.00 0.00 -0.55 0.00 0.00 41.25 38.85 1jub s ASN 190 CO 0.03 -0.26 -0.21 -0.44 -2.79 0.00 0.00 177.10 173.42 1jub s SER 191 N 1.27 3.31 0.16 -4.21 0.01 -0.69 -0.78 113.70 112.77 1jub s SER 191 Ca -0.05 -0.52 0.02 0.00 1.31 0.00 0.00 55.95 56.71 1jub s SER 191 Cb -0.20 -1.47 -0.05 0.00 0.21 0.00 0.00 66.02 64.52 1jub s SER 191 CO -0.01 0.14 -0.01 0.68 0.41 0.00 0.00 173.24 174.45 1jub s VAL 192 N 0.50 0.71 0.97 3.43 -7.23 0.42 -0.17 120.40 119.02 1jub s VAL 192 Ca -0.14 -1.98 -0.16 0.00 -1.81 0.00 0.00 61.98 57.90 1jub s VAL 192 Cb -0.17 -2.04 0.21 0.00 0.56 0.00 0.00 36.38 34.95 1jub s VAL 192 CO 0.05 -0.55 1.33 0.21 -0.31 0.00 0.00 175.10 175.83 1jub s ASN 193 N -3.15 2.98 0.75 4.85 3.84 -0.29 -4.48 114.94 119.43 1jub s ASN 193 Ca 0.22 0.18 -0.15 0.00 0.21 0.00 0.00 52.86 53.32 1jub s ASN 193 Cb 0.06 -0.18 0.02 0.00 -0.55 0.00 0.00 41.25 40.60 1jub s ASN 193 CO 0.02 -2.81 0.99 -1.20 -2.79 0.00 0.00 177.10 171.31 1jub n SER 194 N -3.80 0.47 -4.64 -4.21 7.64 -1.26 -4.45 113.62 103.37 1jub n SER 194 Ca 0.16 0.64 -0.43 0.00 1.01 0.00 0.00 58.87 60.25 1jub n SER 194 Cb 0.59 -1.42 -0.02 0.00 -1.01 0.00 0.00 64.21 62.35 1jub n SER 194 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1jub s ILE 195 N -1.90 3.99 0.51 0.44 1.01 -0.60 -4.60 121.20 120.05 1jub s ILE 195 Ca 0.73 1.15 -0.21 0.00 0.00 0.00 0.00 60.65 62.32 1jub s ILE 195 Cb -0.33 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.17 1jub s ILE 195 CO 0.51 -0.29 1.14 -0.83 0.00 0.00 0.00 174.94 175.47 1jub s GLY 196 N 3.06 2.68 -1.31 6.18 0.00 -1.26 -0.62 107.32 116.05 1jub s GLY 196 Ca 0.62 0.86 -0.13 0.00 0.00 0.00 0.00 44.72 46.06 1jub s GLY 196 CO 0.23 1.25 0.52 0.70 0.00 0.00 0.00 173.10 175.80 1jub n ASN 197 N -1.01 -2.34 -4.83 1.64 3.02 -1.19 -4.88 115.26 105.67 1jub n ASN 197 Ca 0.10 -1.11 -0.23 0.00 -0.03 0.00 0.00 54.58 53.32 1jub n ASN 197 Cb 0.50 -2.67 0.07 0.00 -0.61 0.00 0.00 39.78 37.08 1jub n ASN 197 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1jub s GLY 198 N -3.95 1.78 -0.00 7.41 0.00 0.98 -4.71 107.32 108.84 1jub s GLY 198 Ca 0.24 -1.50 0.01 0.00 0.00 0.00 0.00 44.72 43.47 1jub s GLY 198 CO 0.91 -1.07 -0.04 -2.27 0.00 0.00 0.00 173.10 170.64 1jub s LEU 199 N -4.98 2.00 -0.03 0.66 2.96 -1.26 -1.10 118.68 116.93 1jub s LEU 199 Ca 0.62 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 54.50 1jub s LEU 199 Cb -0.08 -0.20 -0.00 0.00 0.50 0.00 0.00 46.19 46.41 1jub s LEU 199 CO 0.42 0.05 -0.15 0.12 -1.32 0.00 0.00 176.35 175.47 1jub s PHE 200 N -0.08 1.43 0.01 5.38 5.36 -1.26 -5.07 117.98 123.75 1jub s PHE 200 Ca 0.01 -0.36 0.07 0.00 -0.96 0.00 0.00 56.93 55.69 1jub s PHE 200 Cb -0.02 -0.96 -0.02 0.00 -0.34 0.00 0.00 43.02 41.68 1jub s PHE 200 CO -0.00 -0.11 -0.22 0.42 -1.46 0.00 0.00 175.22 173.85 1jub s ILE 201 N -0.03 1.76 -0.53 3.12 1.01 -1.26 -3.40 121.20 121.88 1jub s ILE 201 Ca -0.01 -1.07 -0.18 0.00 0.00 0.00 0.00 60.65 59.39 1jub s ILE 201 Cb -0.09 -1.49 0.08 0.00 0.01 0.00 0.00 42.46 40.97 1jub s ILE 201 CO 0.01 0.39 0.61 -0.62 0.00 0.00 0.00 174.94 175.33 1jub s ASP 202 N -0.80 6.20 0.48 3.58 -1.08 0.25 -4.93 116.67 120.37 1jub s ASP 202 Ca 0.09 -1.16 0.13 0.00 -0.52 0.00 0.00 52.55 51.09 1jub s ASP 202 Cb -0.09 -2.27 1.13 0.00 -1.46 0.00 0.00 42.92 40.23 1jub s ASP 202 CO 0.00 -0.91 2.12 1.55 0.52 0.00 0.00 175.17 178.45 1jub h PRO 203 N 9.00 0.19 0.14 4.34 0.13 -1.96 0.28 132.00 144.12 1jub h PRO 203 Ca -0.28 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1jub h PRO 203 Cb 1.10 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1jub h PRO 203 CO 0.99 0.12 -0.07 0.93 -0.23 0.00 0.00 178.00 179.75 1jub h GLU 204 N 0.19 -0.19 -0.00 0.86 4.39 -1.96 -3.01 114.58 114.87 1jub h GLU 204 Ca 0.05 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1jub h GLU 204 Cb -0.02 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1jub h GLU 204 CO -0.01 0.11 -0.10 0.00 -1.16 0.00 0.00 179.01 177.85 1jub n ALA 205 N -2.34 2.63 -3.84 3.43 0.00 -1.11 -4.91 120.51 114.36 1jub n ALA 205 Ca -0.09 -0.18 -0.28 0.00 0.00 0.00 0.00 53.44 52.89 1jub n ALA 205 Cb 0.21 -1.40 0.04 0.00 0.00 0.00 0.00 19.45 18.30 1jub n ALA 205 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jub n GLU 206 N -1.36 -5.83 -4.08 0.00 1.02 0.95 -4.96 120.64 106.37 1jub n GLU 206 Ca 0.09 0.64 -0.08 0.00 -0.02 0.00 0.00 57.16 57.79 1jub n GLU 206 Cb 0.31 -5.52 -0.10 0.00 -0.02 0.00 0.00 31.44 26.12 1jub n GLU 206 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jub s SER 207 N -3.44 0.39 0.95 1.62 0.15 -1.02 -4.98 113.70 107.37 1jub s SER 207 Ca 0.58 -1.02 -0.13 0.00 0.70 0.00 0.00 55.95 56.08 1jub s SER 207 Cb -0.28 0.25 0.16 0.00 -1.71 0.00 0.00 66.02 64.43 1jub s SER 207 CO 0.81 -0.66 1.15 0.68 1.20 0.00 0.00 173.24 176.43 1jub s VAL 208 N -3.95 1.96 -0.97 4.45 -7.23 -1.26 -0.58 120.40 112.81 1jub s VAL 208 Ca 0.12 0.00 0.09 0.00 -1.81 0.00 0.00 61.98 60.38 1jub s VAL 208 Cb 0.07 -2.75 0.03 0.00 0.56 0.00 0.00 36.38 34.30 1jub s VAL 208 CO -0.07 0.00 0.68 1.33 -0.31 0.00 0.00 175.10 176.73 1jub n VAL 209 N -3.87 0.00 -4.58 1.32 0.24 -1.22 -4.73 118.33 105.49 1jub n VAL 209 Ca 0.08 -0.44 -0.24 0.00 -2.04 0.00 0.00 64.34 61.70 1jub n VAL 209 Cb 0.59 1.14 -0.14 0.00 -1.47 0.00 0.00 33.84 33.97 1jub n VAL 209 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1jub s ILE 210 N -1.08 1.45 -0.01 1.34 -4.36 -1.26 -4.81 121.20 112.47 1jub s ILE 210 Ca 0.09 -1.07 -0.24 0.00 -0.26 0.00 0.00 60.65 59.16 1jub s ILE 210 Cb 0.08 -1.27 -0.19 0.00 1.25 0.00 0.00 42.46 42.33 1jub s ILE 210 CO 0.18 0.17 1.25 0.50 0.24 0.00 0.00 174.94 177.28 1jub h LYS 211 N 5.00 0.13 -7.23 0.37 1.63 -1.06 -3.10 116.57 112.30 1jub h LYS 211 Ca -0.40 -0.08 -0.52 0.00 -0.85 0.00 0.00 60.65 58.80 1jub h LYS 211 Cb 1.16 0.01 0.14 0.00 -0.60 0.00 0.00 32.23 32.94 1jub h LYS 211 CO 0.44 0.63 0.34 -1.25 -3.45 0.00 0.00 179.45 176.16 1jub s PRO 212 N -4.08 2.25 -1.65 1.90 0.05 -1.26 -3.84 135.00 128.36 1jub s PRO 212 Ca -0.15 1.44 -0.14 0.00 0.05 0.00 0.00 61.00 62.19 1jub s PRO 212 Cb 0.02 -1.88 0.13 0.00 0.05 0.00 0.00 34.50 32.82 1jub s PRO 212 CO 0.71 -1.69 0.67 1.63 0.05 0.00 0.00 177.00 178.36 1jub n LYS 213 N -3.04 -2.95 -2.74 4.56 5.02 -1.26 -1.31 118.16 116.44 1jub n LYS 213 Ca 0.11 0.35 -0.16 0.00 -2.02 0.00 0.00 58.31 56.59 1jub n LYS 213 Cb 0.52 -4.89 -0.00 0.00 -0.02 0.00 0.00 35.03 30.63 1jub n LYS 213 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1jub n ASP 214 N -2.72 -4.07 0.00 4.39 8.00 -1.25 -1.69 116.55 119.21 1jub n ASP 214 Ca -0.02 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1jub n ASP 214 Cb 0.54 -3.42 0.00 0.00 -0.02 0.00 0.00 41.12 38.22 1jub n ASP 214 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jub n GLY 215 N -0.97 0.89 3.72 0.44 0.00 -0.43 -4.91 105.19 103.93 1jub n GLY 215 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1jub n GLY 215 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jub s PHE 216 N -2.41 3.66 0.27 1.61 0.40 -0.68 -4.42 117.98 116.40 1jub s PHE 216 Ca 0.00 1.64 -0.16 0.00 -0.60 0.00 0.00 56.93 57.82 1jub s PHE 216 Cb 0.00 -3.18 0.01 0.00 0.51 0.00 0.00 43.02 40.36 1jub s PHE 216 CO 0.00 -0.27 0.59 0.20 0.70 0.00 0.00 175.22 176.44 1jub s GLY 217 N 0.52 0.34 0.20 4.36 0.00 -0.26 -4.71 107.32 107.77 1jub s GLY 217 Ca 0.51 -0.69 -0.30 0.00 0.00 0.00 0.00 44.72 44.24 1jub s GLY 217 CO 0.30 -0.42 1.20 -0.32 0.00 0.00 0.00 173.10 173.86 1jub s GLY 218 N -3.00 2.69 -0.17 0.20 0.00 0.91 -0.01 107.32 107.94 1jub s GLY 218 Ca 0.18 0.97 -0.09 0.00 0.00 0.00 0.00 44.72 45.78 1jub s GLY 218 CO 0.09 1.85 0.13 -0.42 0.00 0.00 0.00 173.10 174.75 1jub s ILE 219 N -0.14 5.37 0.32 0.90 -1.09 0.21 -1.70 121.20 125.07 1jub s ILE 219 Ca 0.52 0.17 0.03 0.00 -2.23 0.00 0.00 60.65 59.15 1jub s ILE 219 Cb -0.33 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1jub s ILE 219 CO 0.37 0.50 0.16 -0.83 -1.23 0.00 0.00 174.94 173.91 1jub s GLY 220 N -0.08 2.14 0.00 6.18 0.00 -0.63 -1.56 107.32 113.37 1jub s GLY 220 Ca 0.10 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 43.10 1jub s GLY 220 CO 0.00 -1.62 0.00 0.61 0.00 0.00 0.00 173.10 172.09 1jub n GLY 221 N -0.63 -1.34 0.36 0.20 0.00 -1.26 -1.67 105.19 100.85 1jub n GLY 221 Ca 0.00 -1.78 0.16 0.00 0.00 0.00 0.00 46.02 44.40 1jub n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jub h ALA 222 N 0.00 2.28 -0.94 4.61 0.00 -1.51 -1.67 119.26 122.03 1jub h ALA 222 Ca 0.00 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.05 1jub h ALA 222 Cb 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 1jub h ALA 222 CO 0.00 -0.41 0.60 1.88 0.00 0.00 0.00 179.25 181.32 1jub h TYR 223 N 0.15 0.91 -0.12 0.00 0.05 -1.58 -3.05 116.97 113.33 1jub h TYR 223 Ca 0.24 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.05 1jub h TYR 223 Cb 0.75 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.21 1jub h TYR 223 CO -0.00 0.30 0.00 0.44 -1.05 0.00 0.00 178.16 177.85 1jub n ILE 224 N -4.61 0.14 -0.26 -2.88 -5.35 -0.63 -4.61 119.36 101.16 1jub n ILE 224 Ca 0.19 -0.57 -0.02 0.00 -0.27 0.00 0.00 62.75 62.09 1jub n ILE 224 Cb 0.50 1.33 0.10 0.00 -1.74 0.00 0.00 39.64 39.82 1jub n ILE 224 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1jub h LYS 225 N 4.28 0.82 -0.90 6.28 3.64 -1.55 0.95 116.57 130.08 1jub h LYS 225 Ca 0.00 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1jub h LYS 225 Cb 0.92 -0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 32.49 1jub h LYS 225 CO 0.00 0.54 0.56 -1.35 -2.27 0.00 0.00 179.45 176.93 1jub h PRO 226 N 0.84 0.98 -0.30 1.90 0.11 -1.82 0.88 132.00 134.59 1jub h PRO 226 Ca 0.31 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.28 1jub h PRO 226 Cb 0.10 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 1jub h PRO 226 CO -0.14 0.65 -0.15 1.15 -0.21 0.00 0.00 178.00 179.29 1jub h THR 227 N 1.00 1.29 -0.03 -1.15 2.02 -1.68 -2.05 112.91 112.31 1jub h THR 227 Ca 0.40 -1.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 1jub h THR 227 Cb 0.22 1.48 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1jub h THR 227 CO -0.19 0.40 0.02 0.00 0.37 0.00 0.00 175.52 176.12 1jub h ALA 228 N 0.75 0.04 -0.77 6.16 0.00 -0.17 -1.17 119.26 124.10 1jub h ALA 228 Ca 0.06 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1jub h ALA 228 Cb 0.68 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1jub h ALA 228 CO 0.05 -0.44 0.51 -0.07 0.00 0.00 0.00 179.25 179.29 1jub h LEU 229 N 0.00 0.88 -0.82 0.00 3.38 -0.87 -1.27 115.31 116.61 1jub h LEU 229 Ca 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1jub h LEU 229 Cb 0.04 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1jub h LEU 229 CO -0.00 0.63 0.46 0.00 0.09 0.00 0.00 178.44 179.62 1jub h ALA 230 N 1.28 1.05 -0.35 1.53 0.00 -1.12 -0.02 119.26 121.63 1jub h ALA 230 Ca 0.28 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1jub h ALA 230 Cb -0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 1jub h ALA 230 CO -0.06 0.54 -0.08 -0.91 0.00 0.00 0.00 179.25 178.74 1jub h ASN 231 N 1.13 0.68 -0.19 0.00 2.35 -0.75 0.19 115.58 118.99 1jub h ASN 231 Ca 0.29 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1jub h ASN 231 Cb 0.01 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1jub h ASN 231 CO -0.05 0.88 0.12 0.58 -1.65 0.00 0.00 177.43 177.31 1jub h VAL 232 N 0.47 1.06 -0.29 2.81 2.07 -0.99 -1.89 116.25 119.50 1jub h VAL 232 Ca 0.09 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1jub h VAL 232 Cb 0.58 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1jub h VAL 232 CO 0.03 0.06 0.02 -0.09 0.02 0.00 0.00 177.57 177.62 1jub h ARG 233 N 0.24 0.50 -0.97 1.57 9.65 -0.88 -0.64 114.38 123.85 1jub h ARG 233 Ca 0.07 -0.15 0.02 0.00 -1.10 0.00 0.00 59.98 58.82 1jub h ARG 233 Cb -0.01 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.47 1jub h ARG 233 CO -0.01 0.63 0.64 0.00 2.80 0.00 0.00 179.97 184.02 1jub h ALA 234 N 0.85 1.33 0.01 2.80 0.00 -0.55 -2.06 119.26 121.64 1jub h ALA 234 Ca 0.08 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1jub h ALA 234 Cb 0.39 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1jub h ALA 234 CO 0.01 0.60 -0.90 0.74 0.00 0.00 0.00 179.25 179.70 1jub h PHE 235 N 1.28 0.36 -0.75 0.00 0.04 -1.26 -3.11 116.94 113.50 1jub h PHE 235 Ca 0.37 -0.20 0.02 0.00 2.80 0.00 0.00 57.97 60.96 1jub h PHE 235 Cb -0.09 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 37.98 1jub h PHE 235 CO -0.00 1.02 0.50 -0.92 -0.60 0.00 0.00 178.31 178.31 1jub h TYR 236 N 0.13 0.92 -0.01 -0.55 3.20 -0.44 0.23 116.97 120.45 1jub h TYR 236 Ca -0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1jub h TYR 236 Cb 1.53 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.50 1jub h TYR 236 CO 0.04 0.56 -0.08 0.25 -1.64 0.00 0.00 178.16 177.28 1jub n THR 237 N -4.44 0.00 -0.01 1.81 -2.24 -0.88 -4.21 114.28 104.32 1jub n THR 237 Ca 0.09 -0.13 -0.01 0.00 -2.27 0.00 0.00 64.05 61.73 1jub n THR 237 Cb 0.08 0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.43 1jub n THR 237 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1jub n ARG 238 N -0.50 2.95 -2.67 -0.78 1.74 -0.61 -5.05 116.66 111.74 1jub n ARG 238 Ca 0.17 -0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.89 1jub n ARG 238 Cb 0.29 -1.06 -0.05 0.00 -1.02 0.00 0.00 32.46 30.62 1jub n ARG 238 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jub s LEU 239 N -3.98 4.13 0.54 0.55 1.43 0.72 -4.92 118.68 117.14 1jub s LEU 239 Ca -0.01 1.90 -0.21 0.00 -1.03 0.00 0.00 54.13 54.78 1jub s LEU 239 Cb 0.01 -4.24 -0.05 0.00 0.03 0.00 0.00 46.19 41.94 1jub s LEU 239 CO 0.10 -0.36 1.22 -1.59 0.23 0.00 0.00 176.35 175.95 1jub s LYS 240 N -2.57 3.29 0.63 1.70 -2.85 -1.26 -4.87 119.74 113.81 1jub s LYS 240 Ca 0.57 1.89 0.31 0.00 -1.00 0.00 0.00 55.97 57.74 1jub s LYS 240 Cb -0.18 -2.17 1.67 0.00 -2.06 0.00 0.00 37.83 35.09 1jub s LYS 240 CO 0.23 -0.97 1.99 -1.00 0.10 0.00 0.00 175.35 175.70 1jub h PRO 241 N 1.42 0.00 0.00 1.78 0.13 -1.95 -1.17 132.00 132.21 1jub h PRO 241 Ca -0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1jub h PRO 241 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1jub h PRO 241 CO 0.57 0.00 -0.14 0.93 -0.23 0.00 0.00 178.00 179.13 1jub h GLU 242 N 0.00 0.00 -4.46 0.86 3.07 -1.93 -3.38 114.58 108.74 1jub h GLU 242 Ca 0.07 0.00 -0.72 0.00 -0.50 0.00 0.00 59.36 58.21 1jub h GLU 242 Cb 0.70 0.00 -0.21 0.00 -0.84 0.00 0.00 28.75 28.40 1jub h GLU 242 CO -0.00 0.14 -0.41 0.42 -1.40 0.00 0.00 179.01 177.76 1jub s ILE 243 N -4.22 5.23 0.84 3.13 1.01 -0.45 -4.73 121.20 122.01 1jub s ILE 243 Ca -0.03 -0.76 -0.10 0.00 0.00 0.00 0.00 60.65 59.76 1jub s ILE 243 Cb 0.13 -3.96 0.15 0.00 0.01 0.00 0.00 42.46 38.79 1jub s ILE 243 CO 0.61 -0.37 1.18 -1.10 0.00 0.00 0.00 174.94 175.25 1jub s GLN 244 N 1.67 1.29 0.01 2.79 -0.21 -0.73 -4.76 119.66 119.72 1jub s GLN 244 Ca 0.05 -0.49 0.05 0.00 0.02 0.00 0.00 55.36 54.99 1jub s GLN 244 Cb -0.20 -2.03 -0.02 0.00 1.00 0.00 0.00 33.01 31.76 1jub s GLN 244 CO 0.09 -1.90 -0.16 0.42 -2.12 0.00 0.00 175.29 171.62 1jub s ILE 245 N -3.57 1.27 -0.17 1.08 1.01 -1.26 -1.50 121.20 118.05 1jub s ILE 245 Ca 0.69 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 60.48 1jub s ILE 245 Cb -0.06 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 1jub s ILE 245 CO 0.49 0.24 -0.06 -0.63 0.00 0.00 0.00 174.94 174.99 1jub s ILE 246 N -0.55 3.55 -0.18 2.92 1.01 0.02 -0.27 121.20 127.70 1jub s ILE 246 Ca 0.05 -0.47 -0.13 0.00 0.00 0.00 0.00 60.65 60.10 1jub s ILE 246 Cb -0.07 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 1jub s ILE 246 CO 0.00 0.48 0.28 -0.83 0.00 0.00 0.00 174.94 174.87 1jub s GLY 247 N 0.71 2.14 -0.02 6.18 0.00 0.02 -1.70 107.32 114.65 1jub s GLY 247 Ca -0.03 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.14 1jub s GLY 247 CO 0.02 0.47 0.00 -1.59 0.00 0.00 0.00 173.10 172.00 1jub s THR 248 N 0.70 0.11 0.00 0.90 2.01 0.76 -1.04 115.64 119.08 1jub s THR 248 Ca 0.15 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1jub s THR 248 Cb -0.13 -0.17 0.00 0.00 0.01 0.00 0.00 72.50 72.21 1jub s THR 248 CO 0.04 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 1jub n GLY 249 N 3.71 3.15 2.34 4.40 0.00 -1.26 -0.44 105.19 117.09 1jub n GLY 249 Ca -0.21 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 1jub n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jub n GLY 250 N 0.00 1.19 3.57 -0.02 0.00 -1.23 -4.49 105.19 104.21 1jub n GLY 250 Ca 0.00 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1jub n GLY 250 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jub s ILE 251 N -2.45 4.75 0.00 -0.61 1.01 -1.26 -4.74 121.20 117.89 1jub s ILE 251 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 60.65 61.38 1jub s ILE 251 Cb 0.00 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1jub s ILE 251 CO 0.00 -0.47 0.00 1.21 0.00 0.00 0.00 174.94 175.68 1jub n GLU 252 N 6.40 0.86 -4.43 2.79 2.13 -1.26 -4.56 120.64 122.58 1jub n GLU 252 Ca 0.02 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.58 1jub n GLU 252 Cb 0.48 -0.71 -0.10 0.00 0.27 0.00 0.00 31.44 31.38 1jub n GLU 252 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1jub s THR 253 N -1.43 2.22 0.46 6.31 -4.23 -1.26 -4.86 115.64 112.84 1jub s THR 253 Ca 0.00 -1.94 0.12 0.00 -1.18 0.00 0.00 61.69 58.69 1jub s THR 253 Cb 0.00 -2.92 0.24 0.00 1.34 0.00 0.00 72.50 71.16 1jub s THR 253 CO 0.00 -0.06 2.06 1.23 -0.54 0.00 0.00 174.62 177.31 1jub h GLY 254 N 1.71 0.21 1.03 3.99 0.00 -1.86 -1.55 103.07 106.61 1jub h GLY 254 Ca -0.43 -0.09 -0.08 0.00 0.00 0.00 0.00 47.33 46.73 1jub h GLY 254 CO 0.74 0.09 0.05 -1.61 0.00 0.00 0.00 176.54 175.81 1jub h GLN 255 N 0.20 0.96 -0.69 4.80 4.15 -1.94 0.11 115.11 122.69 1jub h GLN 255 Ca 0.05 -0.28 -0.03 0.00 0.77 0.00 0.00 58.65 59.16 1jub h GLN 255 Cb 0.09 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 1jub h GLN 255 CO -0.00 0.94 0.31 -0.44 -1.93 0.00 0.00 178.83 177.71 1jub h ASP 256 N 0.84 0.91 -0.25 -0.69 3.32 -1.66 -0.92 116.42 117.98 1jub h ASP 256 Ca 0.17 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1jub h ASP 256 Cb 0.47 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1jub h ASP 256 CO 0.02 0.80 0.11 0.00 -1.72 0.00 0.00 179.24 178.46 1jub h ALA 257 N 1.15 0.33 -0.68 3.45 0.00 -1.08 -2.10 119.26 120.32 1jub h ALA 257 Ca 0.23 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.13 1jub h ALA 257 Cb 0.14 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1jub h ALA 257 CO -0.03 -0.10 0.34 0.35 0.00 0.00 0.00 179.25 179.81 1jub h PHE 258 N 0.27 0.60 -0.51 0.00 3.57 -0.44 -0.95 116.94 119.49 1jub h PHE 258 Ca 0.09 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1jub h PHE 258 Cb 0.15 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1jub h PHE 258 CO -0.02 0.23 0.25 0.93 -2.23 0.00 0.00 178.31 177.48 1jub h GLU 259 N 0.59 0.73 -0.62 1.11 5.08 -0.89 0.39 114.58 120.97 1jub h GLU 259 Ca 0.33 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1jub h GLU 259 Cb 0.32 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1jub h GLU 259 CO -0.25 0.60 0.32 0.45 -1.00 0.00 0.00 179.01 179.13 1jub h HIS 260 N 0.67 0.87 -0.64 4.33 3.86 -0.74 -1.79 115.15 121.71 1jub h HIS 260 Ca 0.18 -0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.28 1jub h HIS 260 Cb 0.10 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 1jub h HIS 260 CO -0.01 0.64 0.11 -0.07 0.86 0.00 0.00 177.93 179.46 1jub h LEU 261 N 0.84 0.99 -1.69 2.43 3.38 -0.87 -2.06 115.31 118.33 1jub h LEU 261 Ca 0.22 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1jub h LEU 261 Cb 0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1jub h LEU 261 CO -0.03 0.98 -0.07 0.25 0.09 0.00 0.00 178.44 179.66 1jub h LEU 262 N 0.98 0.09 -0.54 1.67 5.85 -0.55 0.36 115.31 123.16 1jub h LEU 262 Ca 0.20 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 1jub h LEU 262 Cb 0.41 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1jub h LEU 262 CO 0.01 0.18 -0.61 0.00 -0.34 0.00 0.00 178.44 177.69 1jub n GLY 264 N 0.62 -0.14 3.77 0.00 0.00 -0.71 -4.33 105.19 104.40 1jub n GLY 264 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1jub n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jub s ALA 265 N -0.67 2.94 -0.21 4.61 0.00 -0.86 -4.58 121.76 123.00 1jub s ALA 265 Ca 0.00 1.04 -0.08 0.00 0.00 0.00 0.00 51.96 52.93 1jub s ALA 265 Cb 0.00 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.59 1jub s ALA 265 CO 0.00 -0.84 -0.25 2.41 0.00 0.00 0.00 175.76 177.08 1jub n THR 266 N -0.60 1.14 -4.12 0.00 -1.04 0.62 -4.48 114.28 105.79 1jub n THR 266 Ca 0.08 -0.32 -0.23 0.00 -2.04 0.00 0.00 64.05 61.53 1jub n THR 266 Cb 0.47 -1.64 -0.05 0.00 -1.82 0.00 0.00 70.33 67.29 1jub n THR 266 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1jub s MET 267 N -2.38 2.86 -0.04 -2.82 -1.94 -1.16 -4.71 119.30 109.10 1jub s MET 267 Ca -0.28 -1.04 0.02 0.00 -1.71 0.00 0.00 55.69 52.68 1jub s MET 267 Cb 0.10 -2.55 0.01 0.00 2.01 0.00 0.00 34.83 34.41 1jub s MET 267 CO 0.39 0.42 -0.08 -0.51 -0.01 0.00 0.00 175.02 175.23 1jub s LEU 268 N -3.62 1.58 -0.02 -0.03 1.43 0.54 -0.80 118.68 117.76 1jub s LEU 268 Ca 0.32 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.29 1jub s LEU 268 Cb -0.08 -0.57 -0.03 0.00 0.03 0.00 0.00 46.19 45.54 1jub s LEU 268 CO 0.24 0.01 -0.16 -1.10 0.23 0.00 0.00 176.35 175.57 1jub s GLN 269 N 0.58 2.33 -0.18 1.70 -0.21 -0.21 -0.53 119.66 123.14 1jub s GLN 269 Ca -0.09 -0.81 -0.01 0.00 0.02 0.00 0.00 55.36 54.47 1jub s GLN 269 Cb -0.13 -2.29 0.00 0.00 1.00 0.00 0.00 33.01 31.60 1jub s GLN 269 CO 0.01 0.59 -0.13 0.42 -2.12 0.00 0.00 175.29 174.06 1jub s ILE 270 N -0.79 2.73 0.00 1.08 1.01 -0.38 -4.13 121.20 120.72 1jub s ILE 270 Ca 0.13 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1jub s ILE 270 Cb -0.11 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.18 1jub s ILE 270 CO 0.02 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.07 1jub n GLY 271 N 4.42 0.01 0.27 6.18 0.00 -1.26 -1.18 105.19 113.63 1jub n GLY 271 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.84 1jub n GLY 271 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jub h THR 272 N 0.00 0.29 -0.57 2.61 2.02 -1.95 -0.48 112.91 114.83 1jub h THR 272 Ca 0.00 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1jub h THR 272 Cb 0.00 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 1jub h THR 272 CO 0.00 0.00 0.29 0.00 0.37 0.00 0.00 175.52 176.18 1jub h ALA 273 N 1.71 1.45 -0.14 6.16 0.00 -1.89 -1.53 119.26 125.03 1jub h ALA 273 Ca 0.35 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 1jub h ALA 273 Cb 0.54 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1jub h ALA 273 CO -0.73 0.44 -0.59 1.25 0.00 0.00 0.00 179.25 179.62 1jub h LEU 274 N 0.79 0.52 -0.84 0.00 5.85 -1.39 -0.69 115.31 119.56 1jub h LEU 274 Ca 0.20 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1jub h LEU 274 Cb 0.05 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1jub h LEU 274 CO -0.03 1.00 0.41 -0.74 -0.34 0.00 0.00 178.44 178.73 1jub h HIS 275 N 0.35 1.20 0.17 1.25 2.76 -0.37 0.12 115.15 120.64 1jub h HIS 275 Ca -0.00 -0.06 -0.31 0.00 -2.20 0.00 0.00 60.37 57.81 1jub h HIS 275 Cb 1.13 -0.37 0.03 0.00 1.55 0.00 0.00 27.41 29.75 1jub h HIS 275 CO 0.04 0.86 -1.33 0.87 -1.30 0.00 0.00 177.93 177.07 1jub h LYS 276 N 1.19 0.49 0.00 5.26 1.57 -1.16 -3.39 116.57 120.52 1jub h LYS 276 Ca 0.29 -0.76 -0.16 0.00 -1.87 0.00 0.00 60.65 58.15 1jub h LYS 276 Cb 0.11 0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1jub h LYS 276 CO -0.04 1.35 -2.03 -1.91 -0.57 0.00 0.00 179.45 176.26 1jub n GLU 277 N -3.69 0.66 0.00 3.15 2.13 -0.28 -5.11 120.64 117.50 1jub n GLU 277 Ca -0.13 -0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.63 1jub n GLU 277 Cb 1.04 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 31.18 1jub n GLU 277 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jub n GLY 278 N 1.46 -0.71 0.26 8.31 0.00 0.43 -4.42 105.19 110.51 1jub n GLY 278 Ca -0.16 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.28 1jub n GLY 278 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jub h PRO 279 N 0.00 0.00 0.00 1.61 0.11 -1.94 -1.74 132.00 130.04 1jub h PRO 279 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1jub h PRO 279 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1jub h PRO 279 CO 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.79 1jub h ALA 280 N 1.36 1.00 -0.55 -0.75 0.00 -1.96 -2.66 119.26 115.69 1jub h ALA 280 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1jub h ALA 280 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1jub h ALA 280 CO 0.00 0.00 0.37 0.97 0.00 0.00 0.00 179.25 180.59 1jub h ILE 281 N 0.00 1.04 -0.51 0.00 2.10 -1.57 -2.73 117.51 115.84 1jub h ILE 281 Ca 0.00 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.74 1jub h ILE 281 Cb 0.18 0.39 -0.03 0.00 -1.09 0.00 0.00 36.82 36.28 1jub h ILE 281 CO 0.00 0.11 0.32 -0.26 -1.08 0.00 0.00 178.15 177.24 1jub h PHE 282 N 0.59 0.66 -0.68 2.19 0.04 -1.73 0.53 116.94 118.54 1jub h PHE 282 Ca 0.23 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.95 1jub h PHE 282 Cb 0.17 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 1jub h PHE 282 CO -0.00 0.44 0.23 0.22 -0.60 0.00 0.00 178.31 178.59 1jub h ASP 283 N 0.69 0.99 0.15 2.17 3.58 -1.69 -1.31 116.42 121.00 1jub h ASP 283 Ca 0.19 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 1jub h ASP 283 Cb -0.05 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.75 1jub h ASP 283 CO -0.04 0.92 -0.07 -0.09 -2.88 0.00 0.00 179.24 177.09 1jub h ARG 284 N 1.00 -0.19 -0.06 0.28 2.43 -1.27 -2.60 114.38 113.97 1jub h ARG 284 Ca 0.22 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.32 1jub h ARG 284 Cb 0.28 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1jub h ARG 284 CO -0.01 0.00 -0.36 0.97 -1.51 0.00 0.00 179.97 179.06 1jub h ILE 285 N -0.35 1.28 -0.31 1.20 2.10 -0.86 -1.55 117.51 119.02 1jub h ILE 285 Ca -0.02 -1.33 -0.02 0.00 1.08 0.00 0.00 64.86 64.57 1jub h ILE 285 Cb 0.28 1.64 -0.01 0.00 -1.09 0.00 0.00 36.82 37.63 1jub h ILE 285 CO 0.03 0.39 0.12 0.40 -1.08 0.00 0.00 178.15 178.01 1jub h ILE 286 N 0.11 1.19 -0.51 2.19 2.04 -1.20 -0.72 117.51 120.60 1jub h ILE 286 Ca 0.01 -0.58 -0.07 0.00 1.00 0.00 0.00 64.86 65.22 1jub h ILE 286 Cb 0.69 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1jub h ILE 286 CO 0.05 0.20 0.03 0.11 0.00 0.00 0.00 178.15 178.54 1jub h LYS 287 N 0.35 0.84 -0.46 2.37 1.57 -1.17 -0.57 116.57 119.49 1jub h LYS 287 Ca 0.10 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1jub h LYS 287 Cb 0.20 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1jub h LYS 287 CO -0.01 0.82 0.09 0.93 -0.57 0.00 0.00 179.45 180.70 1jub h GLU 288 N 0.78 0.75 -0.59 3.15 5.08 -0.99 -0.68 114.58 122.09 1jub h GLU 288 Ca 0.16 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1jub h GLU 288 Cb 0.43 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1jub h GLU 288 CO 0.02 0.76 -0.04 1.25 -1.00 0.00 0.00 179.01 180.00 1jub h LEU 289 N 0.62 1.05 -1.06 1.33 5.85 -0.88 -2.16 115.31 120.06 1jub h LEU 289 Ca 0.14 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 1jub h LEU 289 Cb 0.37 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1jub h LEU 289 CO 0.01 1.12 0.09 -0.33 -0.34 0.00 0.00 178.44 178.99 1jub h GLU 290 N 0.96 0.76 -0.62 1.25 5.08 -0.90 -1.35 114.58 119.76 1jub h GLU 290 Ca 0.16 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1jub h GLU 290 Cb 0.61 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1jub h GLU 290 CO 0.04 0.71 0.12 1.49 -1.00 0.00 0.00 179.01 180.37 1jub h GLU 291 N 0.73 1.01 -0.44 2.33 4.57 -0.81 0.81 114.58 122.78 1jub h GLU 291 Ca 0.16 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1jub h GLU 291 Cb 0.31 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1jub h GLU 291 CO 0.00 0.93 0.22 0.82 -1.18 0.00 0.00 179.01 179.81 1jub h ILE 292 N 0.92 1.17 -0.43 2.32 2.04 -0.95 -1.57 117.51 121.01 1jub h ILE 292 Ca 0.19 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 1jub h ILE 292 Cb 0.40 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1jub h ILE 292 CO 0.01 0.19 0.14 0.24 0.00 0.00 0.00 178.15 178.72 1jub h MET 293 N 0.57 0.67 -0.80 2.37 2.86 -0.97 -2.46 114.93 117.18 1jub h MET 293 Ca 0.15 -0.14 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1jub h MET 293 Cb 0.09 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 1jub h MET 293 CO -0.02 0.65 0.51 -0.91 1.06 0.00 0.00 176.91 178.20 1jub h ASN 294 N 0.56 0.85 -0.25 1.22 2.35 -0.63 0.21 115.58 119.89 1jub h ASN 294 Ca 0.14 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1jub h ASN 294 Cb 0.26 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1jub h ASN 294 CO -0.00 0.59 0.07 1.56 -1.65 0.00 0.00 177.43 177.99 1jub h GLN 295 N 1.00 0.47 -0.01 0.81 1.08 -1.07 -2.03 115.11 115.37 1jub h GLN 295 Ca 0.32 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.44 1jub h GLN 295 Cb -0.00 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1jub h GLN 295 CO -0.11 0.45 -0.20 1.63 -0.95 0.00 0.00 178.83 179.65 1jub n LYS 296 N -4.35 1.08 -1.29 1.46 5.02 -0.72 -4.94 118.16 114.42 1jub n LYS 296 Ca 0.02 -0.65 -0.02 0.00 -2.02 0.00 0.00 58.31 55.63 1jub n LYS 296 Cb 0.18 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.70 1jub n LYS 296 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jub n GLY 297 N 1.30 0.50 3.80 0.72 0.00 0.12 -5.03 105.19 106.60 1jub n GLY 297 Ca 0.14 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 1jub n GLY 297 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jub s TYR 298 N -2.10 3.65 -0.48 1.61 2.02 0.51 -4.96 117.35 117.60 1jub s TYR 298 Ca 0.00 0.92 0.05 0.00 -0.37 0.00 0.00 57.07 57.67 1jub s TYR 298 Cb 0.00 -2.34 0.00 0.00 -0.40 0.00 0.00 41.96 39.22 1jub s TYR 298 CO 0.00 0.50 0.47 1.04 -1.57 0.00 0.00 175.55 176.00 1jub n GLN 299 N 2.40 2.12 -3.81 -0.62 6.02 -1.26 -4.15 117.38 118.09 1jub n GLN 299 Ca -0.12 -0.48 -0.12 0.00 -0.01 0.00 0.00 57.00 56.27 1jub n GLN 299 Cb 0.52 -0.94 -0.09 0.00 1.02 0.00 0.00 30.24 30.75 1jub n GLN 299 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1jub s SER 300 N -0.87 -0.10 0.52 1.08 0.15 -1.26 -4.45 113.70 108.78 1jub s SER 300 Ca 0.04 -0.06 0.25 0.00 0.70 0.00 0.00 55.95 56.89 1jub s SER 300 Cb 0.04 0.27 1.44 0.00 -1.71 0.00 0.00 66.02 66.07 1jub s SER 300 CO 0.12 -0.43 2.10 0.40 1.20 0.00 0.00 173.24 176.63 1jub h ILE 301 N 3.98 0.68 0.00 6.45 2.04 -1.86 -1.15 117.51 127.64 1jub h ILE 301 Ca -0.30 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 1jub h ILE 301 Cb 1.18 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1jub h ILE 301 CO 0.41 0.10 -0.02 0.00 0.00 0.00 0.00 178.15 178.64 1jub h ALA 302 N 1.90 1.24 0.00 1.87 0.00 -1.93 0.19 119.26 122.53 1jub h ALA 302 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jub h ALA 302 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1jub h ALA 302 CO 0.01 0.02 0.00 -0.44 0.00 0.00 0.00 179.25 178.84 1jub h ASP 303 N 0.00 0.00 0.00 0.00 3.32 -1.62 -3.31 116.42 114.80 1jub h ASP 303 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jub h ASP 303 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1jub h ASP 303 CO 0.00 0.00 0.00 2.22 -1.72 0.00 0.00 179.24 179.74 1jub n PHE 304 N -2.77 0.00 -1.68 4.55 -1.74 -0.67 -5.01 117.46 110.14 1jub n PHE 304 Ca -0.01 0.00 -0.51 0.00 -0.56 0.00 0.00 57.45 56.38 1jub n PHE 304 Cb 0.17 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.12 1jub n PHE 304 CO 0.00 0.00 0.00 1.58 -0.56 0.00 0.00 176.76 177.78 1jub n HIS 305 N 0.00 2.17 -1.04 2.97 -0.00 0.57 -1.37 115.22 118.52 1jub n HIS 305 Ca 0.00 0.24 -0.01 0.00 0.46 0.00 0.00 57.72 58.41 1jub n HIS 305 Cb 0.12 -2.56 -0.01 0.00 -0.12 0.00 0.00 29.99 27.43 1jub n HIS 305 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1jub n GLY 306 N 3.98 0.26 1.38 1.57 0.00 0.03 -4.88 105.19 107.53 1jub n GLY 306 Ca 0.22 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 1jub n GLY 306 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jub n LYS 307 N -0.31 2.29 -1.69 1.61 5.02 -0.47 -4.79 118.16 119.83 1jub n LYS 307 Ca -0.01 -1.50 -0.44 0.00 -2.02 0.00 0.00 58.31 54.33 1jub n LYS 307 Cb 0.38 -1.73 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 1jub n LYS 307 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1jub n LEU 308 N 0.02 3.43 -4.87 -0.35 7.94 -0.68 -4.94 117.00 117.54 1jub n LEU 308 Ca 0.21 1.09 -0.37 0.00 -1.11 0.00 0.00 56.01 55.84 1jub n LEU 308 Cb 0.88 -1.48 -0.06 0.00 0.53 0.00 0.00 43.42 43.30 1jub n LEU 308 CO 0.22 -0.17 -0.11 -0.54 -1.11 0.00 0.00 177.39 175.68 1jub s LYS 309 N 0.59 3.54 0.46 1.96 1.02 -1.26 -5.05 119.74 121.00 1jub s LYS 309 Ca 0.75 -0.03 -0.01 0.00 0.02 0.00 0.00 55.97 56.69 1jub s LYS 309 Cb -0.62 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 33.50 1jub s LYS 309 CO 0.40 0.75 0.70 -1.12 -0.92 0.00 0.00 175.35 175.16 1jub s SER 310 N -1.13 5.89 0.00 2.83 0.01 -1.26 -5.24 113.70 114.80 1jub s SER 310 Ca 0.18 0.42 0.28 0.00 1.31 0.00 0.00 55.95 58.14 1jub s SER 310 Cb -0.13 -1.68 1.00 0.00 0.21 0.00 0.00 66.02 65.42 1jub s SER 310 CO 0.07 -0.70 1.71 0.18 0.41 0.00 0.00 173.24 174.92